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Molecule
(3,4-Difluorophenyl)Hydrazine
CAS: 161886-22-2 · C6H6F2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 161886-22-2
- Molecular Formula
- C6H6F2N2
- Molecular Mass
- 144.12 g/mol
Identifiers
CAS Registry Number
161886-22-2
SMILES
NNc1ccc(F)c(F)c1
InChI Key
KBSCNXDDCDSLLP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6F2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
Names and Synonyms
- (3,4-Difluorophenyl)Hydrazine Synonym
- Hydrazine, (3,4-difluorophenyl)- Synonym
- (3,4-Difluorophenyl)hydrazine Synonym
- 3,4-Difluorophenylhydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.12 g/mol | CAS Common Chemistry |
| 144.124 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=C1F)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H6F2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KBSCNXDDCDSLLP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3,4-Difluorophenyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 1.2504000000000002 | RDKit |
| 1.2504 | RDKit | |
| 1.13 | chempirical lib | |
| Molar Refractivity | 34.16810000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 144.049904632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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40
20
0 ppm
| 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.
External Resources
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MW = 144.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H6F2N2.
