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88264-23-7 | Oxazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfonyl)-
CAS No: 88264-23-7 Catalog No: AG008AV7 MDL No:
Product Description
Catalog Number:
AG008AV7
Chemical Name:
Oxazole, 4,5-bis(4-methoxyphenyl)-2-(phenylsulfonyl)-
CAS Number:
88264-23-7
Molecular Formula:
C23H19NO5S
Molecular Weight:
421.4657
IUPAC Name:
2-(benzenesulfonyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazole
InChI:
InChI=1S/C23H19NO5S/c1-27-18-12-8-16(9-13-18)21-22(17-10-14-19(28-2)15-11-17)29-23(24-21)30(25,26)20-6-4-3-5-7-20/h3-15H,1-2H3
InChI Key:
YWEPQVSCXXMASU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc(nc1c1ccc(cc1)OC)S(=O)(=O)c1ccccc1
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.098g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.467g/mol
Monoisotopic Mass:
421.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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