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88264-21-5 | Oxazole, 2-[(4-fluorophenyl)sulfinyl]-4,5-bis(4-methoxyphenyl)-
CAS No: 88264-21-5 Catalog No: AG004AAP MDL No:
Product Description
Catalog Number:
AG004AAP
Chemical Name:
Oxazole, 2-[(4-fluorophenyl)sulfinyl]-4,5-bis(4-methoxyphenyl)-
CAS Number:
88264-21-5
Molecular Formula:
C23H18FNO4S
Molecular Weight:
423.4567
IUPAC Name:
2-(4-fluorophenyl)sulfinyl-4,5-bis(4-methoxyphenyl)-1,3-oxazole
InChI:
InChI=1S/C23H18FNO4S/c1-27-18-9-3-15(4-10-18)21-22(16-5-11-19(28-2)12-6-16)29-23(25-21)30(26)20-13-7-17(24)8-14-20/h3-14H,1-2H3
InChI Key:
QAKFLOVZSZIGTL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc(nc1c1ccc(cc1)OC)S(=O)c1ccc(cc1)F
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.094g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.458g/mol
Monoisotopic Mass:
423.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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