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1-[4-chloro-2-(trifluoromethyl)phenyl]methanamine hydrochloride

1-[4-chloro-2-(trifluoromethyl)phenyl]methanamine hydrochloride

CAS: 874483-01-9

Formula: C8H8Cl2F3N

SMILES: Cl.NCC1=CC=C(Cl)C=C1C(F)(F)F

IUPAC: 1-[4-chloro-2-(trifluoromethyl)phenyl]methanamine hydrochloride

InChI: InChI=1S/C8H7ClF3N.ClH/c9-6-2-1-5(4-13)7(3-6)8(10,11)12;/h1-3H,4,13H2;1H

Composition: C (39.05%), H (3.28%), Cl (28.81%), F (23.16%), N (5.69%)

Molar Mass: 246.05

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 244.9985892
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ONVUTSFMWVHICM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.31
Topological Polar Surface Area 26.02
Polarizability 16.78
Ring Count 1
Rotatable Bond Count 2

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