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33215-54-2 | 3-phenyl-2,1-benzoxazole-5-sulfonamide
CAS No: 33215-54-2 Catalog No: AG007GQQ MDL No:
Product Description
Catalog Number:
AG007GQQ
Chemical Name:
3-phenyl-2,1-benzoxazole-5-sulfonamide
CAS Number:
33215-54-2
Molecular Formula:
C13H10N2O3S
Molecular Weight:
274.2951
IUPAC Name:
3-phenyl-2,1-benzoxazole-5-sulfonamide
InChI:
InChI=1S/C13H10N2O3S/c14-19(16,17)10-6-7-12-11(8-10)13(18-15-12)9-4-2-1-3-5-9/h1-8H,(H2,14,16,17)
InChI Key:
PGKNWOSSPKNVCS-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc2c(c1)c(on2)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.294g/mol
Monoisotopic Mass:
274.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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