2,3,6-trifluorobenzonitrile

2,3,6-trifluorobenzonitrile

CAS: 136514-17-5

Formula: C7H2F3N

SMILES: FC1=C(F)C(C#N)=C(F)C=C1

IUPAC: 2,3,6-trifluorobenzonitrile

InChI: InChI=1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H

Composition: C (53.52%), H (1.28%), F (36.28%), N (8.92%)

Molar Mass: 157.095

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.013933557
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YWTXHALVWAISPR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.43
Topological Polar Surface Area	23.79
Polarizability	11.49
Ring Count	1
Rotatable Bond Count	0

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