bmse001030 chlorobenzene at BMRB

chlorobenzene

chlorobenzene; Phenyl chloride; benzene, chloro-; chlorobenzene; Monochlorbenzol; Benzene chloride; PhCl; Chlorobenzene; Benzene, chloro-; Monochlorobenzene

Molecular Formula: C6 H5 Cl
Natural Isotopic Abundance Mass: 112.5569
Mono-Isotopic Molecular Masses: C12N14: 112.0079778705; C13N14: 118.0281068973; C12N15: 112.0079778705; C13N15: 118.0281068973

chlorobenzene

InCHi String:
InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

canonical and isomeric SMILES:
C1=CC=C(C=C1)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
chlorobenzene

PUBCHEM iupac SYSTEMATIC NAME
chloranylbenzene

PubChem Substance (SID):   160963349   8144398   840531
PubChem Compound (CID):   7964
KEGG: Compound ID   C06990
CAS Registry IDs:   108-90-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:28097   NMRShiftDB 20036224   NIST 3700541277

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.