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72399-66-7 | Oxazole, 2-[4-[(difluoromethyl)sulfonyl]phenyl]-5-phenyl-
CAS No: 72399-66-7 Catalog No: AG005HSX MDL No:
Product Description
Catalog Number:
AG005HSX
Chemical Name:
Oxazole, 2-[4-[(difluoromethyl)sulfonyl]phenyl]-5-phenyl-
CAS Number:
72399-66-7
Molecular Formula:
C16H11F2NO3S
Molecular Weight:
335.3252
IUPAC Name:
2-[4-(difluoromethylsulfonyl)phenyl]-5-phenyl-1,3-oxazole
InChI:
InChI=1S/C16H11F2NO3S/c17-16(18)23(20,21)13-8-6-12(7-9-13)15-19-10-14(22-15)11-4-2-1-3-5-11/h1-10,16H
InChI Key:
JOBLWLIITVPQRO-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccc(cc1)c1ncc(o1)c1ccccc1)F
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.325g/mol
Monoisotopic Mass:
335.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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