5-bromopyrimidine-4-carbonitrile

5-bromopyrimidine-4-carbonitrile

CAS: 114969-66-3

Formula: C5H2BrN3

SMILES: BrC1=CN=CN=C1C#N

IUPAC: 5-bromopyrimidine-4-carbonitrile

InChI: InChI=1S/C5H2BrN3/c6-4-2-8-3-9-5(4)1-7/h2-3H

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	NVDDWOVFQZUEGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.69
Topological Polar Surface Area	49.57
Polarizability	13.4
Ring Count	1
Rotatable Bond Count	0

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