BMRB

Biological Magnetic Resonance Data Bank


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

4-chlorobenzaldehyde

Graphical representations:

4-chlorobenzaldehyde image

Molecular Formula: C7 H5 O Cl

Natural Isotopic Abundance Mass: 140.567

Mono-Isotopic Molecular Masses:

  • C12N14: 140.0028924926
  • C13N14: 147.0263763572
  • C12N15: 140.0028924926
  • C13N15: 147.0263763572

InCHi String: InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H

canonical and isomeric SMILES: C1=CC(=CC=C1C=O)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
4-chlorobenzaldehyde

PUBCHEM iupac SYSTEMATIC NAME
4-chloranylbenzaldehyde

PubChem Substance (SID):   160963348   48422543   134970671
PubChem Compound (CID):   7726
KEGG: Compound ID   C06648
CAS Registry IDs:   104-88-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   EPA DSSTox 30393   EINECS 203-247-4   CCRIS 857   ChemIDplus 0000104881

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.