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5-bromo-2-phenyl-1H-1,3-benzodiazole

5-bromo-2-phenyl-1H-1,3-benzodiazole

CAS: 1741-50-0

Formula: C13H9BrN2

SMILES: BrC1=CC=C2NC(=NC2=C1)C1=CC=CC=C1

IUPAC: 5-bromo-2-phenyl-1H-1,3-benzodiazole

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

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 1
InChIKey GVFCYTFUNNARML-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.69
Topological Polar Surface Area 28.68
Polarizability 27.55
Ring Count 3
Rotatable Bond Count 1

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