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89100-22-1 | Methanone, (4-nitrophenyl)[4-(trifluoromethyl)phenyl]-
CAS No: 89100-22-1 Catalog No: AG0040A2 MDL No:
Product Description
Catalog Number:
AG0040A2
Chemical Name:
Methanone, (4-nitrophenyl)[4-(trifluoromethyl)phenyl]-
CAS Number:
89100-22-1
Molecular Formula:
C14H8F3NO3
Molecular Weight:
295.2134
IUPAC Name:
(4-nitrophenyl)-[4-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C14H8F3NO3/c15-14(16,17)11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)18(20)21/h1-8H
InChI Key:
WDGRDRNISWFDHI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.217g/mol
Monoisotopic Mass:
295.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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