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ß-BROMOCUMENE
Search structure
Keyword(s):
Human Metabolites
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Active Pharmaceutical Ingredients
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Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
XJWVCWQKZQENDS-UHFFFAOYSA-N
Smiles
BrCC(C=1C=CC=CC1)C
InChI
InChI=1/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C9H11Br
Molecular Weight
198.0
AlogP
3.19
Number of Rotational Bond
2.0
Heavy Atoms
10.0
Cross References
Resources
Reference
CAS NUMBER
1459-00-3
NORMAN SUSDAT
NS00044835
PubChem
97813
CONTENTS
Structure
Chemical and Physical Properties