3-fluoro-2-methylbenzonitrile

3-fluoro-2-methylbenzonitrile

CAS: 185147-06-2

Formula: C8H6FN

SMILES: CC1=C(C=CC=C1F)C#N

IUPAC: 3-fluoro-2-methylbenzonitrile

InChI: InChI=1S/C8H6FN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3

Composition: C (71.10%), H (4.48%), F (14.06%), N (10.36%)

Molar Mass: 135.141

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	135.04842736
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DMQFTNHJWVKVGE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.04
Topological Polar Surface Area	23.79
Polarizability	13.59
Ring Count	1
Rotatable Bond Count	0

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