4-bromo-1H-imidazole-2-carbonitrile

4-bromo-1H-imidazole-2-carbonitrile

CAS: 120118-03-8

Formula: C4H2BrN3

SMILES: BrC1=CNC(=N1)C#N

IUPAC: 4-bromo-1H-imidazole-2-carbonitrile

InChI: InChI=1S/C4H2BrN3/c5-3-2-7-4(1-6)8-3/h2H,(H,7,8)

Composition: C (27.93%), H (1.17%), Br (46.46%), N (24.43%)

Molar Mass: 171.985

Atom Count: 10

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.94321
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DXZFZIQXGDJVCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.68
Topological Polar Surface Area	52.47
Polarizability	12.1
Ring Count	1
Rotatable Bond Count	0

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