BMRB

Biological Magnetic Resonance Data Bank


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

Cis-1,3-dichloropropene

Graphical representations:

cis-1,3-dichloropropene image

Molecular Formula: C3 H4 Cl2

Natural Isotopic Abundance Mass: 110.96986

Mono-Isotopic Molecular Masses:

  • C12N14: 109.9690055484
  • C13N14: 112.9790700618
  • C12N15: 109.9690055484
  • C13N15: 112.9790700618

InCHi String:

canonical SMILES: C(C=CCl)Cl

isomeric SMILES: C(/C=C\Cl)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(Z)-1,3-dichloroprop-1-ene

PUBCHEM iupac CAS NAME
(Z)-1,3-dichloro-1-propene

PubChem Substance (SID):   111677850   8836   24863503
PubChem Compound (CID):   5280970
KEGG: Compound ID   C06610
CAS Registry IDs:   10061-01-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 377414_ALDRICH   ChEBI CHEBI:18809   NIST Chemistry WebBook 1566011869   MMCD cq_03785   MDL MFCD00062949

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.