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

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

CAS: 54624-57-6

Formula: C7H5BrN2

SMILES: BrC1=NC2=CC=CC=C2N1

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

InChI: InChI=1S/C7H5BrN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)

Composition: C (42.67%), H (2.56%), Br (40.55%), N (14.22%)

Molar Mass: 197.035

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 195.963611
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey PHPYXVIHDRDPDI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.59
Topological Polar Surface Area 28.68
Polarizability 17.47
Ring Count 2
Rotatable Bond Count 0

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