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4-bromo-6-chloro-1H-1,3-benzodiazole

4-bromo-6-chloro-1H-1,3-benzodiazole

CAS: 1360934-00-4

Formula: C7H4BrClN2

SMILES: ClC1=CC(Br)=C2N=CNC2=C1

IUPAC: 4-bromo-6-chloro-1H-1,3-benzodiazole

InChI: InChI=1S/C7H4BrClN2/c8-5-1-4(9)2-6-7(5)11-3-10-6/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 RHDGVHIUGAGINX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.4
Topological Polar Surface Area 28.68
Polarizability 19.34
Ring Count 2
Rotatable Bond Count 0

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