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Molecule
2-Chloro-5-Methoxybenzenamine
CAS: 2401-24-3 · C7H8ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2401-24-3
- Molecular Formula
- C7H8ClNO
- Molecular Mass
- 157.60 g/mol
Identifiers
CAS Registry Number
2401-24-3
SMILES
COc1ccc(Cl)c(N)c1
InChI Key
GBOUQGUQUUPGLO-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
Names and Synonyms
- 2-Chloro-5-Methoxybenzenamine Synonym
- Benzenamine, 2-chloro-5-methoxy- Synonym
- m-Anisidine, 6-chloro- Synonym
- 2-Chloro-5-methoxybenzenamine Synonym
- 3-Amino-4-chloroanisole Synonym
- 6-Chloro-m-anisidine Synonym
- 2-Chloro-5-methoxyaniline Synonym
- 1-Amino-2-chloro-5-methoxybenzene Synonym
- 2-Chloro-5-(methyloxy)aniline Synonym
- 2-Chloro-5-methoxyphenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.60 g/mol | CAS Common Chemistry |
| 157.6 g/mol | RDKit | |
| 157.597 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C(OC)C=C1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GBOUQGUQUUPGLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 27 °C | CAS Common Chemistry |
| Name | 2-Chloro-5-methoxybenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.9308 | RDKit |
| Molar Refractivity | 42.41640000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 157.029441556 g/mol | RDKit |
| Boiling Point | 136-137 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
External Resources
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MW = 157.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8ClNO.
