3-bromo-4-(trifluoromethoxy)benzonitrile

3-bromo-4-(trifluoromethoxy)benzonitrile

CAS: 191602-89-8

Formula: C8H3BrF3NO

SMILES: FC(F)(F)OC1=CC=C(C=C1Br)C#N

IUPAC: 3-bromo-4-(trifluoromethoxy)benzonitrile

InChI: InChI=1S/C8H3BrF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H

Composition: C (36.12%), H (1.14%), Br (30.04%), F (21.43%), N (5.27%), O (6.01%)

Molar Mass: 266.017

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.935011
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KAKWODPBBWZVMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.47
Topological Polar Surface Area	33.02
Polarizability	17.34
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	191602-89-8		$192.51-$311.54$192.51$311.54

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	191602-89-8		$97.75-$184.00$97.75$184.00