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21084-22-0 | Methanone, [3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]-
CAS No: 21084-22-0 Catalog No: AG002L0B MDL No:MFCD00013561
Product Description
Catalog Number:
AG002L0B
Chemical Name:
Methanone, [3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]-
CAS Number:
21084-22-0
Molecular Formula:
C15H8F6O
Molecular Weight:
318.2138
MDL Number:
MFCD00013561
IUPAC Name:
[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C15H8F6O/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8H
InChI Key:
HWBXNAPXNCBCQO-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.218g/mol
Monoisotopic Mass:
318.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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