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Home > Fluorides > 1458615-96-7
1458615-96-7 | 3-phenoxy-5-(2,2,2-trifluoroethoxy)aniline hydrochloride
CAS No: 1458615-96-7 Catalog No: AG01FJYK MDL No:
Product Description
Catalog Number:
AG01FJYK
Chemical Name:
3-phenoxy-5-(2,2,2-trifluoroethoxy)aniline hydrochloride
CAS Number:
1458615-96-7
Molecular Formula:
C14H13ClF3NO2
Molecular Weight:
319.7067
IUPAC Name:
3-phenoxy-5-(2,2,2-trifluoroethoxy)aniline;hydrochloride
InChI:
InChI=1S/C14H12F3NO2.ClH/c15-14(16,17)9-19-12-6-10(18)7-13(8-12)20-11-4-2-1-3-5-11;/h1-8H,9,18H2;1H
InChI Key:
ZSCIOQVOQMSJCY-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)OCC(F)(F)F)Oc1ccccc1.Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.708g/mol
Monoisotopic Mass:
319.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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