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3-(1-aminoethyl)-4-fluorobenzonitrile hydrochloride

3-(1-aminoethyl)-4-fluorobenzonitrile hydrochloride

Formula: C9H10ClFN2

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

IUPAC: 3-(1-aminoethyl)-4-fluorobenzonitrile hydrochloride

InChI: InChI=1/C9H9FN2.ClH/c1-6(12)8-4-7(5-11)2-3-9(8)10;/h2-4,6H,12H2,1H3;1H

Composition: C (53.88%), H (5.02%), Cl (17.67%), F (9.47%), N (13.96%)

Molar Mass: 200.64

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 200.0516542
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JIBDXYPPAALVOG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.89
Topological Polar Surface Area 49.81
Polarizability 17.02
Ring Count 1
Rotatable Bond Count 1

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Molecule Market Select
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