(2-amino-3-chlorophenyl)methanol

• ChemBase ID: 68302
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: C(O)c1c(c(ccc1)Cl)N
• Canonical SMILES: OCc1cccc(c1N)Cl
• InChI: InChI=1S/C7H8ClNO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4,9H2
• InChIKey: XIHOYQMBAUMKCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-3-chlorophenyl)methanol
• IUPAC Traditional name: (2-amino-3-chlorophenyl)methanol
• Synonyms: (2-Amino-3-chlorophenyl)methanol

Database IDs

• CAS Number: 61487-25-0
• MDL Number: MFCD13193432
• PubChem SID: 162034034
• PubChem CID: 14155407

CALCULATED PROPERTIES

• Acid pKa: 14.874291
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9809064
• LogD (pH = 7.4): 0.9810134
• Log P: 0.9810148
• Molar Refractivity: 42.3791 cm^3
• Polarizability: 15.806631 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%