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CHEBI:18721 - 3-chloropropane-1,2-diol

Default Structure
ChEBI IDCHEBI:18721
ChEBI Name3-chloropropane-1,2-diol
Stars
DefinitionA chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3.
Last Modified22 April 2015
DownloadsMolfile
FormulaC3H7ClO2
Net Charge0
Average Mass110.540
Monoisotopic Mass110.01346
SMILESOCC(O)CCl
InChIInChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
InChIKeySSZWWUDQMAHNAQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-chloropropane-1,2-diol (CHEBI:18721) is a chloropropane-1,2-diol (CHEBI:23119)
Incoming Relation(s)
(R)-3-chloro-1,2-propanediol (CHEBI:18663) is a 3-chloropropane-1,2-diol (CHEBI:18721)
(2S)-3-chloro-1,2-propanediol (CHEBI:231711) is a 3-chloropropane-1,2-diol (CHEBI:18721)
IUPAC Name 
3-chloropropane-1,2-diol
Synonyms  Source
1-chloro-2,3-propanediolNIST Chemistry WebBook
3-chloro-1,2-propanediolNIST Chemistry WebBook
3-Monochloro-1,2-propanediolKEGG COMPOUND
chlorodeoxyglycerolNIST Chemistry WebBook
(RS)-3-chloro-1,2-propanediolUM-BBD
α-chlorohydrinNIST Chemistry WebBook
Manual XrefsDatabases
1231PPDB
c0078UM-BBD
C18676KEGG COMPOUND
Registry NumbersSources
Beilstein:635684Beilstein
Gmelin:68752Gmelin
CAS:96-24-2NIST Chemistry WebBook
CAS:96-24-2ChemIDplus
CAS:96-24-2KEGG COMPOUND