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

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

CAS: 155255-45-1

Formula: C8H4BrF3N2

SMILES: NC1=C(Br)C=C(C#N)C(=C1)C(F)(F)F

IUPAC: 4-amino-5-bromo-2-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H4BrF3N2/c9-6-1-4(3-13)5(2-7(6)14)8(10,11)12/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	VDQSOTIHVAEDDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.08
Topological Polar Surface Area	49.81
Polarizability	17.7
Ring Count	1
Rotatable Bond Count	1

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