2-(2-bromophenyl)-5-chloro-1H-1,3-benzodiazole

2-(2-bromophenyl)-5-chloro-1H-1,3-benzodiazole

CAS: 14225-83-3

Formula: C13H8BrClN2

SMILES: ClC1=CC=C2NC(=NC2=C1)C1=C(Br)C=CC=C1

IUPAC: 2-(2-bromophenyl)-5-chloro-1H-1,3-benzodiazole

InChI: InChI=1S/C13H8BrClN2/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13/h1-7H,(H,16,17)

Composition: C (50.77%), H (2.62%), Br (25.98%), Cl (11.53%), N (9.11%)

Molar Mass: 307.58

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	305.955939
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JJFNHTWNUMDUHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.5
Topological Polar Surface Area	28.68
Polarizability	29.45
Ring Count	3
Rotatable Bond Count	1

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