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79726-08-2 | 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione
CAS No: 79726-08-2 Catalog No: AG01DWOB MDL No:MFCD24563509
Product Description
Catalog Number:
AG01DWOB
Chemical Name:
3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione
CAS Number:
79726-08-2
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD24563509
IUPAC Name:
1,1-dioxo-2,3-dihydro-1λ6,3-benzothiazin-4-one
InChI:
InChI=1S/C8H7NO3S/c10-8-6-3-1-2-4-7(6)13(11,12)5-9-8/h1-4H,5H2,(H,9,10)
InChI Key:
KYQHKWUPJYJYGX-UHFFFAOYSA-N
SMILES:
O=C1NCS(=O)(=O)c2c1cccc2
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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