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1104-76-3 | N-{4-[2-(4-Acetamidophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl}acetamide
CAS No: 1104-76-3 Catalog No: AG01F41I MDL No:MFCD00965288
Product Description
Catalog Number:
AG01F41I
Chemical Name:
N-{4-[2-(4-Acetamidophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl}acetamide
CAS Number:
1104-76-3
Molecular Formula:
C19H16F6N2O2
Molecular Weight:
418.3330
MDL Number:
MFCD00965288
IUPAC Name:
N-[4-[2-(4-acetamidophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]acetamide
InChI:
InChI=1S/C19H16F6N2O2/c1-11(28)26-15-7-3-13(4-8-15)17(18(20,21)22,19(23,24)25)14-5-9-16(10-6-14)27-12(2)29/h3-10H,1-2H3,(H,26,28)(H,27,29)
InChI Key:
ZEWKXKZCCQCDDL-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)NC(=O)C
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.112g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.339g/mol
Monoisotopic Mass:
418.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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