2-amino-3-bromo-5-(trifluoromethyl)benzonitrile

2-amino-3-bromo-5-(trifluoromethyl)benzonitrile

CAS: 133013-30-6

Formula: C8H4BrF3N2

SMILES: NC1=C(Br)C=C(C=C1C#N)C(F)(F)F

IUPAC: 2-amino-3-bromo-5-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H4BrF3N2/c9-6-2-5(8(10,11)12)1-4(3-13)7(6)14/h1-2H,14H2

Composition: C (36.26%), H (1.52%), Br (30.15%), F (21.50%), N (10.57%)

Molar Mass: 265.033

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.950996
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OYUGWGDNFYZWSZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.08
Topological Polar Surface Area	49.81
Polarizability	17.71
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	133013-30-6		$26.48-$66.83$26.48$40.35$66.83