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Versions and log file
1-CHLOROBUTA-1,3-DIENE
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Keyword(s):
Human Metabolites
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Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
PCPYTNCQOSFKGG-UHFFFAOYSA-N
Smiles
ClC=CC=C
InChI
InChI=1/C4H5Cl/c1-2-3-4-5/h2-4H,1H2
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C4H5Cl
Molecular Weight
88.01
AlogP
1.92
Number of Rotational Bond
1.0
Heavy Atoms
5.0
Cross References
Resources
Reference
CAS NUMBER
627-22-5
NORMAN SUSDAT
NS00043473
PubChem
12311
CONTENTS
Structure
Chemical and Physical Properties