C1=CC(=CC=C1C(=O)O)Cl
CAS: 74-11-3
Name: 4-chlorobenzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)Cl

Molecular Processing

Molecular formula
C7H5ClO2
Molecular weight
156.57
Exact mass
155.9978
XLogP
2.04
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.41

Supplementary Information

InChIKey: XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Synonyme
4-Chlorobenzoic acid74-11-3P-CHLOROBENZOIC ACIDBenzoic acid, 4-chloro-Chlorodracylic acidp-Chlorbenzoic acidpara-Chlorobenzoic acidBenzoic acid, p-chloro-4-CHLORO-BENZOIC ACIDp-CarboxychlorobenzeneAcido p-clorobenzoicoDTXSID9024772IC7888DF4LNSC-32738DTXCID704772CHEBI:30747RefChem:98552200-805-9695-032-0MFCD00002531Acido p-clorobenzoico [Italian]4-chloro benzoic acid4-chlorobenzoic acid-alpha-13cNCGC00090858-024-ChlorobenzoicacidCCRIS 5994HSDB 6019EINECS 200-805-9NSC 32738BRN 0907196
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