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87160-98-3 | 4H-1,4-Oxazocine, 4-[(4-methylphenyl)sulfonyl]-
CAS No: 87160-98-3 Catalog No: AG004OBE MDL No:
Product Description
Catalog Number:
AG004OBE
Chemical Name:
4H-1,4-Oxazocine, 4-[(4-methylphenyl)sulfonyl]-
CAS Number:
87160-98-3
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
IUPAC Name:
4-(4-methylphenyl)sulfonyl-1,4-oxazocine
InChI:
InChI=1S/C13H13NO3S/c1-12-4-6-13(7-5-12)18(15,16)14-8-2-3-10-17-11-9-14/h2-11H,1H3
InChI Key:
SODSAIQDDOKXEU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccccocc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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