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189876-53-7 | 1-Propanamine, 3-[4-(trifluoromethoxy)phenoxy]-
CAS No: 189876-53-7 Catalog No: AG002E2N MDL No:
Product Description
Catalog Number:
AG002E2N
Chemical Name:
1-Propanamine, 3-[4-(trifluoromethoxy)phenoxy]-
CAS Number:
189876-53-7
Molecular Formula:
C10H12F3NO2
Molecular Weight:
235.2030
IUPAC Name:
3-[4-(trifluoromethoxy)phenoxy]propan-1-amine
InChI:
InChI=1S/C10H12F3NO2/c11-10(12,13)16-9-4-2-8(3-5-9)15-7-1-6-14/h2-5H,1,6-7,14H2
InChI Key:
ISFSJWOKLUNXAQ-UHFFFAOYSA-N
SMILES:
NCCCOc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.206g/mol
Monoisotopic Mass:
235.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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