2-methoxy-4-(trifluoromethoxy)benzonitrile

2-methoxy-4-(trifluoromethoxy)benzonitrile

Formula: C9H6F3NO2

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

IUPAC: 2-methoxy-4-(trifluoromethoxy)benzonitrile

InChI: InChI=1S/C9H6F3NO2/c1-14-8-4-7(15-9(10,11)12)3-2-6(8)5-13/h2-4H,1H3

Composition: C (49.78%), H (2.79%), F (26.25%), N (6.45%), O (14.74%)

Molar Mass: 217.147

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.035062926
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RXVJXCQLCABJGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.31
Topological Polar Surface Area	42.25
Polarizability	16.71
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
97%	<7 Days	C9H6F3NO2		$264.61-$1,184.65$264.61$685.36$1,184.65

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H6F3NO2		Quote Only