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116445-92-2 | Benzenesulfonamide, N-(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-
CAS No: 116445-92-2 Catalog No: AG000CIO MDL No:
Product Description
Catalog Number:
AG000CIO
Chemical Name:
Benzenesulfonamide, N-(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-
CAS Number:
116445-92-2
Molecular Formula:
C14H9ClN2O4S
Molecular Weight:
336.7503
IUPAC Name:
N-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
InChI:
InChI=1S/C14H9ClN2O4S/c15-9-6-7-12-11(8-9)13(18)21-14(16-12)17-22(19,20)10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChI Key:
KGMGHHDDTVUDCJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)oc(n2)NS(=O)(=O)c1ccccc1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.997g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.746g/mol
Monoisotopic Mass:
335.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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