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946662-97-1 | 4-(3
CAS No: 946662-97-1 Catalog No: AG01FO94 MDL No:
Product Description
Catalog Number:
AG01FO94
Chemical Name:
4-(3
CAS Number:
946662-97-1
IUPAC Name:
4-(3,4-difluorophenoxy)-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H8F5NO/c14-10-3-2-8(6-11(10)15)20-12-4-1-7(19)5-9(12)13(16,17)18/h1-6H,19H2
InChI Key:
IUESBFZKQHFNIG-UHFFFAOYSA-N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.205g/mol
Monoisotopic Mass:
289.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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