CAS: 2457-76-3
名称: 4-amino-2-chlorobenzoic acid
SMILES:
C1=CC(=C(C=C1N)Cl)C(=O)OMolecular Processing
Molecular formula
C7H6ClNO2
Molecular weight
171.58
Exact mass
171.0087
XLogP
1.62
TPSA
63.32
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
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
Molar refractivity
42.82
Supplementary Information
InChIKey: MBDUKNCPOPMRJQ-UHFFFAOYSA-N
同義語
4-AMINO-2-CHLOROBENZOIC ACID2457-76-32-Chloro-4-aminobenzoic acidBenzoic acid, 4-amino-2-chloro-o-Chloro-p-aminobenzoic acid2-Chloro-p-aminobenzoic acidY3S6924IA6NSC-33944NSC-53160NSC-64328DTXSID9062431CHEBI:594722-chloro-GABARefChem:97694DTXCID8037099219-540-54-amino-2-chloro-benzoic acidUSAF NB-1MFCD00007772NSC33944WLN: ZR CG DVQNSC 64328EINECS 219-540-5NSC 33944NSC 53160BRN 2803668UNII-Y3S6924IA6AI3-523242-Chloro-4-aminobenzoic Acid; 2-Chloro-p-aminobenzoic Acid; NSC 33944; NSC 53160; NSC 64328; o-Chloro-p-aminobenzoic AcidProcaine Impurity 7
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