3,4-difluoro-5-methylbenzonitrile

3,4-difluoro-5-methylbenzonitrile

CAS: 1803833-51-3

Formula: C8H5F2N

SMILES: CC1=C(F)C(F)=CC(=C1)C#N

IUPAC: 3,4-difluoro-5-methylbenzonitrile

InChI: InChI=1S/C8H5F2N/c1-5-2-6(4-11)3-7(9)8(5)10/h2-3H,1H3

Composition: C (62.75%), H (3.29%), F (24.81%), N (9.15%)

Molar Mass: 153.132

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	153.039005491
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ATSPMHCCJTYZEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.25
Topological Polar Surface Area	23.79
Polarizability	13.35
Ring Count	1
Rotatable Bond Count	0

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