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4-chloro-2-(trifluoromethyl)aniline hydrochloride

4-chloro-2-(trifluoromethyl)aniline hydrochloride

Formula: C7H6Cl2F3N

SMILES: Cl.NC1=C(C=C(Cl)C=C1)C(F)(F)F

IUPAC: 4-chloro-2-(trifluoromethyl)aniline hydrochloride

InChI: InChI=1S/C7H5ClF3N.ClH/c8-4-1-2-6(12)5(3-4)7(9,10)11;/h1-3H,12H2;1H

Composition: C (36.24%), H (2.61%), Cl (30.56%), F (24.56%), N (6.04%)

Molar Mass: 232.03

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.9829391
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DVGCDMNTSJRNQV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.54
Topological Polar Surface Area 26.02
Polarizability 14.65
Ring Count 1
Rotatable Bond Count 1

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