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Home > Sulfanilamide > 864544-84-3
864544-84-3 | 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS No: 864544-84-3 Catalog No: AG00JGRB MDL No:MFCD06668109
Product Description
Catalog Number:
AG00JGRB
Chemical Name:
7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CAS Number:
864544-84-3
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
MDL Number:
MFCD06668109
IUPAC Name:
7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
InChI:
InChI=1S/C9H10N2O4S/c1-5-2-7-6(11-9(12)4-15-7)3-8(5)16(10,13)14/h2-3H,4H2,1H3,(H,11,12)(H2,10,13,14)
InChI Key:
QPDXCYDSSPCPEU-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(c(c2)C)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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