Home Other Building Blocks 4-(difluoromethoxy)-3-(trifluoromethyl)aniline

4-(difluoromethoxy)-3-(trifluoromethyl)aniline

CAS No.:
71791-37-2
Catalog Number:
AG019WOX
Molecular Formula:
C8H6F5NO
Molecular Weight:
227.1314
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Product Description
Catalog Number:
AG019WOX
Chemical Name:
4-(difluoromethoxy)-3-(trifluoromethyl)aniline
CAS Number:
71791-37-2
Molecular Formula:
C8H6F5NO
Molecular Weight:
227.1314
MDL Number:
MFCD14650280
IUPAC Name:
4-(difluoromethoxy)-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H6F5NO/c9-7(10)15-6-2-1-4(14)3-5(6)8(11,12)13/h1-3,7H,14H2
InChI Key:
KECMHGFWHSNIEA-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1C(F)(F)F)N)F
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.037g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.134g/mol
Monoisotopic Mass:
227.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties