3-Chloro-4-(4-methylphenoxy)aniline
Basic information
- CAS
56966-55-3- Standard SMILES
Cc1ccc(Oc2ccc(N)cc2Cl)cc1- InChIKey
DDTQHROTTBWWTI-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0607417
Names & identifiers
- Preferred name
- 3-Chloro-4-(4-methylphenoxy)aniline
- IUPAC
- 3-chloro-4-(4-methylphenoxy)aniline
- English name
- Benzenamine, 3-chloro-4-(4-methylphenoxy)-
- Molecular formula
- C13H12ClNO
- Molecular weight
- 233.69
Names & synonyms
56966-55-33-Chloro-4-(4-methylphenoxy)aniline3-Chloro-4-(4-methylphenoxy)benZenamine3-Chloro-4-(p-tolyloxy)anilineBenzenamine, 3-chloro-4-(4-methylphenoxy)-SCHEMBL5583563DTXSID40546331MFCD00459648AKOS000100260H71375A1-05075
Database identifiers
- CAS
56966-55-3- PubChem CID
- 13670477
- DTXSID
DTXSID40546331
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 348.9 · 348.9±37.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 3.81 · 3.81±0.10(Predicted)
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Compound notes
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