InCHi String:
InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
canonical and isomeric SMILES: CC(=O)C1=CC=C(C=C1)Cl
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME1-(4-chlorophenyl)ethanone
PubChem Substance (SID):
85165299 8873 607381PubChem Compound (CID):
7467KEGG: Compound ID
C06647CAS Registry IDs: 99-91-2
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich C19708_ALDRICH
HSDB 2088
ZINC ZINC00896324
ChemIDplus 000099912
UM-BBD c0417
ChemSpider 15471650
EINECS 202-800-7
NMRShiftDB 20036207
NIAID 017941
Beilstein Handbook Reference 4-07-00-00639
ChemDB 6519652
DTP/NCI 6115
NIST Chemistry WebBook 4240369149
MMCD cq_03822
MDL MFCD00000624
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
