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117338-18-8 | 3,4-Bis(trifluoromethoxy)aniline
CAS No: 117338-18-8 Catalog No: AG01FEK5 MDL No:
Product Description
Catalog Number:
AG01FEK5
Chemical Name:
3,4-Bis(trifluoromethoxy)aniline
CAS Number:
117338-18-8
Molecular Formula:
C8H5F6NO2
Molecular Weight:
261.1212
IUPAC Name:
3,4-bis(trifluoromethoxy)aniline
InChI:
InChI=1S/C8H5F6NO2/c9-7(10,11)16-5-2-1-4(15)3-6(5)17-8(12,13)14/h1-3H,15H2
InChI Key:
DFVFCCAXCLPFMT-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)OC(F)(F)F)OC(F)(F)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.123g/mol
Monoisotopic Mass:
261.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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