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Home > Fluorides > 140481-02-3
140481-02-3 | 1H-Pyrrole-2,5-dione, 1-[[4-(trifluoromethyl)phenyl]methyl]-
CAS No: 140481-02-3 Catalog No: AG001CIW MDL No:
Product Description
Catalog Number:
AG001CIW
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[[4-(trifluoromethyl)phenyl]methyl]-
CAS Number:
140481-02-3
Molecular Formula:
C12H8F3NO2
Molecular Weight:
255.1926
IUPAC Name:
1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
InChI:
InChI=1S/C12H8F3NO2/c13-12(14,15)9-3-1-8(2-4-9)7-16-10(17)5-6-11(16)18/h1-6H,7H2
InChI Key:
KJLLZMMXXWAFCQ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)CN1C(=O)C=CC1=O)(F)F
Properties
Complexity:
363
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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