ethyl 4-amino-3-chlorobenzoate

• ChemBase ID: 308080
• Molecular Formular: C9H10ClNO2
• Molecular Mass: 199.6342
• Monoisotopic Mass: 199.04000625
• SMILES: C(=O)(c1cc(c(cc1)N)Cl)OCC
• Canonical SMILES: CCOC(=O)c1ccc(c(c1)Cl)N
• InChI: InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
• InChIKey: MFDTVONVIRHHBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-amino-3-chlorobenzoate
• IUPAC Traditional name: ethyl 4-amino-3-chlorobenzoate
• Synonyms: ethyl 4-amino-3-chlorobenzoate

Database IDs

• CAS Number: 82765-44-4
• MDL Number: MFCD06411007

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1086175
• LogD (pH = 7.4): 2.108649
• Log P: 2.1086495
• Molar Refractivity: 52.3371 cm^3
• Polarizability: 19.636316 Å^3
• Polar Surface Area: 52.32 Å^2