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1-[3-chloro-5-(trifluoromethyl)phenyl]methanamine

1-[3-chloro-5-(trifluoromethyl)phenyl]methanamine

CAS: 400771-41-7

Formula: C8H7ClF3N

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

IUPAC: 1-[3-chloro-5-(trifluoromethyl)phenyl]methanamine

InChI: InChI=1S/C8H7ClF3N/c9-7-2-5(4-13)1-6(3-7)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 GCLAXYMPBCHQIK-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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95% <5 Days 400771-41-7 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
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