COC(=O)C1=C(C(=CC=C1)N)Cl
CAS: 120100-15-4
Name: methyl 3-amino-2-chlorobenzoate
SMILES: COC(=O)C1=C(C(=CC=C1)N)Cl

Molecular Processing

Molecular formula
C8H8ClNO2
Molecular weight
185.61
Exact mass
185.0244
XLogP
1.71
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
47.2

Supplementary Information

InChIKey: NKBQKMXNIWIFAE-UHFFFAOYSA-N
Synonyme
METHYL 3-AMINO-2-CHLOROBENZOATE120100-15-4DTXSID70568748RefChem:354802DTXCID60519522MFCD16036890Benzoic acid, 3-amino-2-chloro-, methyl estermethyl 2-chloro-3-aminobenzoateSCHEMBL1127275methyl 3 amino-2-chlorobenzoateSCHEMBL30203404methyl 3-amino-2-chloro-benzoateNKBQKMXNIWIFAE-UHFFFAOYSA-NAKOS022173513METHYL3-AMINO-2-CHLOROBENZOATEDS-7313SY1189682-Chloro-3-amino-benzoic acid methyl esterDB-297921EN300-78959C71675F339785
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