2-amino-4-fluorobenzonitrile

2-amino-4-fluorobenzonitrile

CAS: 80517-22-2

Formula: C7H5FN2

SMILES: NC1=C(C=CC(F)=C1)C#N

IUPAC: 2-amino-4-fluorobenzonitrile

InChI: InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2

Composition: C (61.76%), H (3.70%), F (13.96%), N (20.58%)

Molar Mass: 136.129

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	136.043676332
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CBXKVIFVKCNVGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.7
Topological Polar Surface Area	49.81
Polarizability	12.99
Ring Count	1
Rotatable Bond Count	0

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Off-white powder

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