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Molecule
2-(2′-Hydroxy-3′5-Di-Tert-Butylphenyl) Benzotriazole
CAS: 3846-71-7 · C20H25N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3846-71-7
- Molecular Formula
- C20H25N3O
- Molecular Mass
- 323.44 g/mol
Identifiers
CAS Registry Number
3846-71-7
SMILES
CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChI Key
LHPPDQUVECZQSW-UHFFFAOYSA-N
InChI
InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3
Names and Synonyms
- 2-(2′-Hydroxy-3′5-Di-Tert-Butylphenyl) Benzotriazole Synonym
- Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)- Synonym
- Phenol, 2-(2H-benzotriazol-2-yl)-4,6-di-tert-butyl- Synonym
- 2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)phenol Synonym
- Tinuvin 320 Synonym
- 2-(2′-Hydroxy-3′,5′-di-tert-butylphenyl)benzotriazole Synonym
- 2-(2-Hydroxy-3,5-di-tert-butylphenyl)benzotriazole Synonym
- 2-(2-Benzotriazolyl)-4,6-di-tert-butylphenol Synonym
- 2-(3,5-Di-tert-butyl-2-hydroxyphenyl)benzotriazole Synonym
- 2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole Synonym
- Sumisorb 320 Synonym
- Viosorb 582 Synonym
- Kemisorb 75 Synonym
- Seesorb 705 Synonym
- 2-(3′,5′-Di-tert-butyl-2′-hydroxyphenyl)benzotriazole Synonym
- Eversorb 77 Synonym
- 2-(2-Hydroxy-3,5-di-tert-butylphenyl)-2H-benzotriazole Synonym
- 2-(2′-Hydroxy-3′,5′-di-t-butylphenyl)benzotriazole Synonym
- 2-(2′-Hydroxy-3′5-di-tert-butylphenyl) benzotriazole Synonym
- UV 320 Synonym
- Chisorb 320 Synonym
- 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-butylphenol Synonym
- 2-(Benzotriazol-2-yl)-4,6-ditert-butylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.44 g/mol | CAS Common Chemistry |
| 323.4400000000001 g/mol | RDKit | |
| 324.448 g/mol | chempirical lib | |
| Canonical SMILES | OC=1C(=CC(=CC1C(C)(C)C)C(C)(C)C)N2N=C3C=CC=CC3=N2 | CAS Common Chemistry |
| InChI | InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LHPPDQUVECZQSW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2′-Hydroxy-3′5-di-tert-butylphenyl) benzotriazole | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 4.721100000000004 | RDKit |
| 4.7211 | RDKit | |
| Molar Refractivity | 97.92980000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 323.19976242 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 323.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H25N3O.
