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1-[3-chloro-4-(trifluoromethyl)phenyl]methanamine

1-[3-chloro-4-(trifluoromethyl)phenyl]methanamine

CAS: 361393-93-3

Formula: C8H7ClF3N

SMILES: NCC1=CC(Cl)=C(C=C1)C(F)(F)F

IUPAC: 1-[3-chloro-4-(trifluoromethyl)phenyl]methanamine

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

Composition: C (45.84%), H (3.37%), Cl (16.91%), F (27.19%), N (6.68%)

Molar Mass: 209.6

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.0219114
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GRCRXCBPWHSEOI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.31
Topological Polar Surface Area 26.02
Polarizability 16.79
Ring Count 1
Rotatable Bond Count 2

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