InCHi String:
InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
canonical and isomeric SMILES: C1=CC(=CC=C1CC(=O)O)Cl
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME2-(4-chlorophenyl)acetic acid
PUBCHEM iupac SYSTEMATIC NAME2-(4-chlorophenyl)ethanoic acid
PubChem Substance (SID):
85165187 46516665 5975PubChem Compound (CID):
15880KEGG: Compound ID
C03077CAS Registry IDs: 1878-66-6
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich 139262_ALDRICH
ChEBI CHEBI:30749 ChemIDplus 001878666
ChemSpider 13853446
EINECS 217-521-6
NMRShiftDB 20040350
BindingDB 16427
Beilstein Handbook Reference 4-09-00-01675
ChemDB 4260052
NIST Chemistry WebBook 2065641510
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
