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A-BROMO-O-XYLENE
Search structure
Keyword(s):
Human Metabolites
Molecule Category
Free-form
Datasets:
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Human Metabolites
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Exact
Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
WGVYCXYGPNNUQA-UHFFFAOYSA-N
Smiles
BrCC=1C=CC=CC1C
InChI
InChI=1/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C8H9Br
Molecular Weight
183.99
AlogP
2.89
Number of Rotational Bond
1.0
Heavy Atoms
9.0
Cross References
Resources
Reference
CAS NUMBER
89-92-9
NORMAN SUSDAT
NS00041093
PubChem
6992
CONTENTS
Structure
Chemical and Physical Properties