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

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

CAS: 771581-60-3

Formula: C8H7ClF3NO

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

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

InChI: InChI=1S/C8H7ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H,4,13H2

Composition: C (42.59%), H (3.13%), Cl (15.71%), F (25.26%), N (6.21%), O (7.09%)

Molar Mass: 225.6

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.016826
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OVFDZNSGNUXERC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.41
Topological Polar Surface Area 35.25
Polarizability 17.59
Ring Count 1
Rotatable Bond Count 3

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97% <2 Days 771581-60-3 $51.35-$180.26$51.35$63.37$86.31$180.26
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