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303987-08-8 | 2-(naphthalene-2-sulfonyl)-3-phenyl-2,5-dihydro-1,2-oxazol-5-one
CAS No: 303987-08-8 Catalog No: AG00IPOD MDL No:MFCD01568228
Product Description
Catalog Number:
AG00IPOD
Chemical Name:
2-(naphthalene-2-sulfonyl)-3-phenyl-2,5-dihydro-1,2-oxazol-5-one
CAS Number:
303987-08-8
Molecular Formula:
C19H13NO4S
Molecular Weight:
351.3758
MDL Number:
MFCD01568228
IUPAC Name:
2-naphthalen-2-ylsulfonyl-3-phenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C19H13NO4S/c21-19-13-18(15-7-2-1-3-8-15)20(24-19)25(22,23)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H
InChI Key:
STKZTELQLZNCBT-UHFFFAOYSA-N
SMILES:
O=c1cc(n(o1)S(=O)(=O)c1ccc2c(c1)cccc2)c1ccccc1
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.057g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.376g/mol
Monoisotopic Mass:
351.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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