2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]acetonitrile

2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]acetonitrile

CAS: 261763-15-9

Formula: C9H4ClF4N

SMILES: FC1=C(Cl)C=C(C=C1CC#N)C(F)(F)F

IUPAC: 2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]acetonitrile

InChI: InChI=1S/C9H4ClF4N/c10-7-4-6(9(12,13)14)3-5(1-2-15)8(7)11/h3-4H,1H2

Composition: C (45.50%), H (1.70%), Cl (14.92%), F (31.99%), N (5.90%)

Molar Mass: 237.58

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.9968395
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	VUHAOUHLFDSYEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.34
Topological Polar Surface Area	23.79
Polarizability	16.95
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	261763-15-9		$232.88-$511.29$232.88$511.29

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	261763-15-9		$159.85$159.85