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2-bromo-4-chloro-1H-1,3-benzodiazole

2-bromo-4-chloro-1H-1,3-benzodiazole

CAS: 1388069-08-6

Formula: C7H4BrClN2

SMILES: ClC1=C2N=C(Br)NC2=CC=C1

IUPAC: 2-bromo-4-chloro-1H-1,3-benzodiazole

InChI: InChI=1S/C7H4BrClN2/c8-7-10-5-3-1-2-4(9)6(5)11-7/h1-3H,(H,10,11)

Composition: C (36.32%), H (1.74%), Br (34.52%), Cl (15.31%), N (12.10%)

Molar Mass: 231.48

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 229.924639
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey SDGHEODVCAKCMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.4
Topological Polar Surface Area 28.68
Polarizability 19.45
Ring Count 2
Rotatable Bond Count 0

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