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Home > Sulfanilamide > 1240527-49-4
1240527-49-4 | 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS No: 1240527-49-4 Catalog No: AG01A9IO MDL No:MFCD16622101
Product Description
Catalog Number:
AG01A9IO
Chemical Name:
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS Number:
1240527-49-4
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
MDL Number:
MFCD16622101
IUPAC Name:
2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
InChI:
InChI=1S/C9H10N2O4S/c1-5-9(12)11-7-4-6(16(10,13)14)2-3-8(7)15-5/h2-5H,1H3,(H,11,12)(H2,10,13,14)
InChI Key:
PXGPAEWSQDXDAH-UHFFFAOYSA-N
SMILES:
O=C1Nc2cc(ccc2OC1C)S(=O)(=O)N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.249g/mol
Monoisotopic Mass:
242.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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