6-bromopyrimidine-4-carbonitrile

6-bromopyrimidine-4-carbonitrile

CAS: 1209460-03-6

Formula: C5H2BrN3

SMILES: BrC1=CC(=NC=N1)C#N

IUPAC: 6-bromopyrimidine-4-carbonitrile

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

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	XWNQUGUXLJMAIB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.54
Topological Polar Surface Area	49.57
Polarizability	13.44
Ring Count	1
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1209460-03-6		$259.77-$1,070.59$259.77$416.13$714.99$1,070.59