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4-hydrazinyl-2-(trifluoromethyl)benzonitrile hydrochloride

4-hydrazinyl-2-(trifluoromethyl)benzonitrile hydrochloride

CAS: 1023649-53-7

Formula: C8H7ClF3N3

SMILES: Cl.NNC1=CC=C(C#N)C(=C1)C(F)(F)F

IUPAC: 4-hydrazinyl-2-(trifluoromethyl)benzonitrile hydrochloride

InChI: InChI=1S/C8H6F3N3.ClH/c9-8(10,11)7-3-6(14-13)2-1-5(7)4-12;/h1-3,14H,13H2;1H

Composition: C (40.44%), H (2.97%), Cl (14.92%), F (23.99%), N (17.68%)

Molar Mass: 237.61

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.0280594
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KXXSNUJUQCGZSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.46
Topological Polar Surface Area 61.84
Polarizability 15.96
Ring Count 1
Rotatable Bond Count 2

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