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123572-59-8 | Benzenamine, 2,4-difluoro-5-(trifluoromethoxy)-
CAS No: 123572-59-8 Catalog No: AG000KTH MDL No:MFCD16658808
Product Description
Catalog Number:
AG000KTH
Chemical Name:
Benzenamine, 2,4-difluoro-5-(trifluoromethoxy)-
CAS Number:
123572-59-8
Molecular Formula:
C7H4F5NO
Molecular Weight:
213.1048
MDL Number:
MFCD16658808
IUPAC Name:
2,4-difluoro-5-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H4F5NO/c8-3-1-4(9)6(2-5(3)13)14-7(10,11)12/h1-2H,13H2
InChI Key:
YDLIEJPIFDOQSD-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(cc1OC(F)(F)F)N
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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