benzyl bromide   Click here for help

GtoPdb Ligand ID: 6294

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 0
Molecular weight 169.97
XLogP 2.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES BrCc1ccccc1
Isomeric SMILES BrCc1ccccc1
InChI InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key AGEZXYOZHKGVCM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
bromomethylbenzene
Database Links Click here for help
CAS Registry No. 100-39-0 (source: SciFinder)
ChEMBL Ligand CHEMBL1085946
GtoPdb PubChem SID 178102914
PubChem CID 7498
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Wikipedia Benzyl bromide