4-amino-2-fluoro-3-methylbenzonitrile

4-amino-2-fluoro-3-methylbenzonitrile

CAS: 757247-93-1

Formula: C8H7FN2

SMILES: CC1=C(F)C(=CC=C1N)C#N

IUPAC: 4-amino-2-fluoro-3-methylbenzonitrile

InChI: InChI=1S/C8H7FN2/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3H,11H2,1H3

Composition: C (63.99%), H (4.70%), F (12.65%), N (18.66%)

Molar Mass: 150.156

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	150.059326396
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GTAKXKONKSMWLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.74
Topological Polar Surface Area	49.81
Polarizability	14.74
Ring Count	1
Rotatable Bond Count	0

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