2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(3,4-dimethoxyphenyl)acetonitrile

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(3,4-dimethoxyphenyl)acetonitrile

CAS: 338407-18-4

Formula: C16H12ClF3N2O2

SMILES: COC1=C(OC)C=C(C=C1)C(C#N)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(3,4-dimethoxyphenyl)acetonitrile

InChI: InChI=1/C16H12ClF3N2O2/c1-23-13-4-3-9(5-14(13)24-2)11(7-21)15-12(17)6-10(8-22-15)16(18,19)20/h3-6,8,11H,1-2H3

Composition: C (53.87%), H (3.39%), Cl (9.94%), F (15.98%), N (7.85%), O (8.97%)

Molar Mass: 356.73

Atom Count: 36

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	356.0539398
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FPOQMLWYZCRFLL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.19
Topological Polar Surface Area	55.14
Polarizability	30.7
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	338407-18-4		$51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07