bmse000360 2-chloroethanol at BMRB

2-chloroethanol

2-chloroethanol; Ethylene chlorohydrin; Ethanol, 2-chloro-; Chloroalcohol; beta-chloroethyl alcohol; 2-CHLORO-ETHANOL; 2-chloroethyl alcohol; 2-CHLOROETHANOL; 2-Chloroethanol; Ethanol, chloro-; beta-chloroethanol

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

2-chloroethanol

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.