4-bromopyrimidine-2-carbonitrile

4-bromopyrimidine-2-carbonitrile

CAS: 1160995-48-1

Formula: C5H2BrN3

SMILES: BrC1=NC(=NC=C1)C#N

IUPAC: 4-bromopyrimidine-2-carbonitrile

InChI: InChI=1S/C5H2BrN3/c6-4-1-2-8-5(3-7)9-4/h1-2H

Composition: C (32.64%), H (1.10%), Br (43.43%), N (22.84%)

Molar Mass: 183.996

Atom Count: 11

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.94321
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IPBOWNBJKYDXQB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.57
Topological Polar Surface Area	49.57
Polarizability	13.44
Ring Count	1
Rotatable Bond Count	0

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