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1-(3-bromophenyl)-1,3-benzodiazole

1-(3-bromophenyl)-1,3-benzodiazole

CAS: 1352226-51-7

Formula: C13H9BrN2

SMILES: BrC1=CC(=CC=C1)N1C=NC2=CC=CC=C12

IUPAC: 1-(3-bromophenyl)-1H-1,3-benzodiazole

InChI: InChI=1S/C13H9BrN2/c14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H

Composition: C (57.17%), H (3.32%), Br (29.25%), N (10.26%)

Molar Mass: 273.133

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 271.994911
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IYETZQWUKMPUDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.58
Topological Polar Surface Area 17.82
Polarizability 27.56
Ring Count 3
Rotatable Bond Count 1

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