bmse000438 4-Chlorobenzoic acid at BMRB

4-Chlorobenzoic acid

4-CHLORO-BENZOIC ACID; benzoic acid, 4-chloro-; p-Chlorbenzoic acid; Chlorodracylic acid; 4-Chlorobenzoate; 4-Chlorobenzoic acid; Benzoic acid, p-chloro-; 4-Chlorobenzoic Acid; 4-chlorobenzoic acid; p-chlorobenzoic acid; p-Carboxychlorobenzene

Molecular Formula: C7 H5 O2 Cl
Natural Isotopic Abundance Mass: 156.5664
Mono-Isotopic Molecular Masses: C12N14: 155.9978071147; C13N14: 163.0212909793; C12N15: 155.9978071147; C13N15: 163.0212909793

4-Chlorobenzoic acid

InCHi String:
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

canonical and isomeric SMILES:
C1=CC(=CC=C1C(=O)O)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-chlorobenzoic acid

PubChem Substance (SID):   85165227   840558   5412
PubChem Compound (CID):   6318
KEGG: Compound ID   C02370
CAS Registry IDs:   3686-66-6   74-11-3   15516-76-4
PDB Chemical Component   174
Miscellaneous Databases and IDs:   Sigma-Aldrich 135585_ALDRICH   ChEBI CHEBI:30747   HSDB 6019   ChemIDplus 000074113   ChemSpider 15211345   MMDB 28651.3   EINECS 200-805-9   CCRIS 5994   NMRShiftDB 20036251   EPA DSSTox 4772   DrugBank DB03728   Beilstein Handbook Reference 4-09-00-00973   ChemDB 4260445   NIST Chemistry WebBook 1958754041

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.