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122460-66-6 | 5(2H)-Oxazolone, 4-(4-chlorophenyl)-2-(trifluoromethyl)-
CAS No: 122460-66-6 Catalog No: AG001798 MDL No:
Product Description
Catalog Number:
AG001798
Chemical Name:
5(2H)-Oxazolone, 4-(4-chlorophenyl)-2-(trifluoromethyl)-
CAS Number:
122460-66-6
Molecular Formula:
C10H5ClF3NO2
Molecular Weight:
263.6004
IUPAC Name:
4-(4-chlorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
InChI:
InChI=1S/C10H5ClF3NO2/c11-6-3-1-5(2-4-6)7-8(16)17-9(15-7)10(12,13)14/h1-4,9H
InChI Key:
HFTPOTIPYBZVSL-UHFFFAOYSA-N
SMILES:
FC(C1N=C(C(=O)O1)c1ccc(cc1)Cl)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.6g/mol
Monoisotopic Mass:
262.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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