BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Chlorobenzene

Graphical representations:

chlorobenzene image

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

InCHi String:

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.