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85284-16-8 | Benzenesulfonic acid,4-(2-phenyl-5-oxazolyl)-
CAS No: 85284-16-8 Catalog No: AG004UYL MDL No:
Product Description
Catalog Number:
AG004UYL
Chemical Name:
Benzenesulfonic acid,4-(2-phenyl-5-oxazolyl)-
CAS Number:
85284-16-8
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
IUPAC Name:
4-(2-phenyl-1,3-oxazol-5-yl)benzenesulfonic acid
InChI:
InChI=1S/C15H11NO4S/c17-21(18,19)13-8-6-11(7-9-13)14-10-16-15(20-14)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)
InChI Key:
GBVHQAQDPKGTQT-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc(cc1)c1cnc(o1)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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