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Details

Stereochemistry ABSOLUTE
Molecular Formula C4H9ClO2
Molecular Weight 124.566
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-1,3-butanediol, (3S)-

SMILES

OCC[C@H](O)CCl

InChI

InChIKey=IQDXPPKWNPMHJI-BYPYZUCNSA-N
InChI=1S/C4H9ClO2/c5-3-4(7)1-2-6/h4,6-7H,1-3H2/t4-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-Chloro-1,3-butanediol, (3S)-
Systematic Name English
1,3-Butanediol, 4-chloro-, (S)-
Systematic Name English
(3S)-4-Chloro-1,3-butanediol
Systematic Name English
1,3-Butanediol, 4-chloro-, (3S)-
Systematic Name English
Code System Code Type Description
CAS
139013-68-6
Created by admin on Sat Dec 16 19:35:45 GMT 2023 , Edited by admin on Sat Dec 16 19:35:45 GMT 2023
PRIMARY
PUBCHEM
10197683
Created by admin on Sat Dec 16 19:35:45 GMT 2023 , Edited by admin on Sat Dec 16 19:35:45 GMT 2023
PRIMARY
FDA UNII
5PF8623675
Created by admin on Sat Dec 16 19:35:45 GMT 2023 , Edited by admin on Sat Dec 16 19:35:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID001309306
Created by admin on Sat Dec 16 19:35:45 GMT 2023 , Edited by admin on Sat Dec 16 19:35:45 GMT 2023
PRIMARY
NIH
NCATS
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