BMRB

Biological Magnetic Resonance Data Bank


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

2-chloroethanol

Graphical representations:

2-chloroethanol image

Molecular Formula: C2 H5 O Cl

Natural Isotopic Abundance Mass: 80.5135

Mono-Isotopic Molecular Masses:

  • C12N14: 80.0028924926
  • C13N14: 82.0096021682
  • C12N15: 80.0028924926
  • C13N15: 82.0096021682

InCHi String: InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2

canonical and isomeric SMILES: C(CCl)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-chloroethanol

PubChem Substance (SID):   85165156   587807   8974
PubChem Compound (CID):   34
KEGG: Compound ID   C06753
CAS Registry IDs:   59826-67-4   107-07-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 23000_FLUKA   EPA DSSTox 1877   ChEBI CHEBI:28200   BioCyc 2-CHLOROETHANOL   ChemIDplus 059826674   UM-BBD c0005   ChemSpider 11448190   NMRShiftDB 10005722   ChemDB 3969531   NIST Chemistry WebBook 1868244895   MMCD cq_03899   MDL MFCD00002829

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.