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114021-43-1 | Benzenamine, 2,5-difluoro-4-(trifluoromethoxy)-
CAS No: 114021-43-1 Catalog No: AG000AC4 MDL No:
Product Description
Catalog Number:
AG000AC4
Chemical Name:
Benzenamine, 2,5-difluoro-4-(trifluoromethoxy)-
CAS Number:
114021-43-1
Molecular Formula:
C7H4F5NO
Molecular Weight:
213.1048
IUPAC Name:
2,5-difluoro-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H4F5NO/c8-3-2-6(14-7(10,11)12)4(9)1-5(3)13/h1-2H,13H2
InChI Key:
NCCFJYHLZQFMAS-UHFFFAOYSA-N
SMILES:
Fc1cc(N)c(cc1OC(F)(F)F)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.107g/mol
Monoisotopic Mass:
213.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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