4-(trifluoromethyl)benzoyl cyanide

4-(trifluoromethyl)benzoyl cyanide

CAS: 80277-40-3

Formula: C9H4F3NO

SMILES: FC(F)(F)C1=CC=C(C=C1)C(=O)C#N

IUPAC: 4-(trifluoromethyl)benzoyl cyanide

InChI: InChI=1S/C9H4F3NO/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4H

Composition: C (54.29%), H (2.02%), F (28.62%), N (7.03%), O (8.03%)

Molar Mass: 199.132

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.024498242
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UNOHHRSTBDNSAW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.21
Topological Polar Surface Area	40.86
Polarizability	15.2
Ring Count	1
Rotatable Bond Count	2

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	80277-40-3		$157.55-$5,612.00$157.55$201.25$286.35$457.70$1,828.50$5,612.00