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Home > Fluorides > 140481-00-1
140481-00-1 | 1H-Pyrrole-2,5-dione, 1-[[2-(trifluoromethyl)phenyl]methyl]-
CAS No: 140481-00-1 Catalog No: AG001CIX MDL No:MFCD17313576
Product Description
Catalog Number:
AG001CIX
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[[2-(trifluoromethyl)phenyl]methyl]-
CAS Number:
140481-00-1
Molecular Formula:
C12H8F3NO2
Molecular Weight:
255.1926
MDL Number:
MFCD17313576
IUPAC Name:
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
InChI:
InChI=1S/C12H8F3NO2/c13-12(14,15)9-4-2-1-3-8(9)7-16-10(17)5-6-11(16)18/h1-6H,7H2
InChI Key:
XAYSLJUSDPDOJA-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1Cc1ccccc1C(F)(F)F
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.196g/mol
Monoisotopic Mass:
255.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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