2-[3-methoxy-5-(trifluoromethyl)phenyl]acetonitrile

2-[3-methoxy-5-(trifluoromethyl)phenyl]acetonitrile

CAS: 916421-02-8

Formula: C10H8F3NO

SMILES: COC1=CC(=CC(CC#N)=C1)C(F)(F)F

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

InChI: InChI=1S/C10H8F3NO/c1-15-9-5-7(2-3-14)4-8(6-9)10(11,12)13/h4-6H,2H2,1H3

Composition: C (55.82%), H (3.75%), F (26.49%), N (6.51%), O (7.44%)

Molar Mass: 215.175

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.055798371
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IZJPZDDRQKCSEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.78
Topological Polar Surface Area	33.02
Polarizability	17.58
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	916421-02-8		$51.35-$225.06$51.35$63.37$86.31$225.06