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2062-29-5 | 5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CAS No: 2062-29-5 Catalog No: AG002AL5 MDL No:MFCD00275544
Product Description
Catalog Number:
AG002AL5
Chemical Name:
5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CAS Number:
2062-29-5
Molecular Formula:
C10H6F3NO2
Molecular Weight:
229.1553
MDL Number:
MFCD00275544
IUPAC Name:
4-phenyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
InChI:
InChI=1S/C10H6F3NO2/c11-10(12,13)9-14-7(8(15)16-9)6-4-2-1-3-5-6/h1-5,9H
InChI Key:
GOUDGRBOWFMVRW-UHFFFAOYSA-N
SMILES:
FC(C1N=C(C(=O)O1)c1ccccc1)(F)F
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.158g/mol
Monoisotopic Mass:
229.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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