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

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

CAS: 1008361-81-6

Formula: C7H4BrClN2

SMILES: ClC1=C2N=CNC2=CC=C1Br

IUPAC: 5-bromo-4-chloro-1H-1,3-benzodiazole

InChI: InChI=1S/C7H4BrClN2/c8-4-1-2-5-7(6(4)9)11-3-10-5/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 MJXDWVUPIRXRDE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.4
Topological Polar Surface Area 28.68
Polarizability 19.36
Ring Count 2
Rotatable Bond Count 0

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