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2-(5-amino-2-fluorophenyl)acetonitrile hydrochloride

2-(5-amino-2-fluorophenyl)acetonitrile hydrochloride

CAS: 1220039-71-3

Formula: C8H8ClFN2

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

IUPAC: 2-(5-amino-2-fluorophenyl)acetonitrile hydrochloride

InChI: InChI=1S/C8H7FN2.ClH/c9-8-2-1-7(11)5-6(8)3-4-10;/h1-2,5H,3,11H2;1H

Composition: C (51.49%), H (4.32%), Cl (19.00%), F (10.18%), N (15.01%)

Molar Mass: 186.61

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.0360041
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OGSXQNLEMSZGBF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.26
Topological Polar Surface Area 49.81
Polarizability 14.67
Ring Count 1
Rotatable Bond Count 1

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96% <2 Days 1220039-71-3 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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