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21784-53-2 | 1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide
CAS No: 21784-53-2 Catalog No: AG00CBGE MDL No:MFCD01663228
Product Description
Catalog Number:
AG00CBGE
Chemical Name:
1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide
CAS Number:
21784-53-2
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD01663228
IUPAC Name:
2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
InChI:
InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)
InChI Key:
UYXCSOAMZMOWRY-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)Cc2c1cccc2
EC Number:
244-577-9
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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