3-formyl-5-(trifluoromethyl)benzonitrile

3-formyl-5-(trifluoromethyl)benzonitrile

CAS: 569370-39-4

Formula: C9H4F3NO

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

IUPAC: 3-formyl-5-(trifluoromethyl)benzonitrile

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

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	MSXKEYLXULZEBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.34
Topological Polar Surface Area	40.86
Polarizability	15.33
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	569370-39-4		$114.75-$272.38$114.75$272.38