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27363-39-9 | 2H-1,2-Benzothiazin-3(4H)-one 1,1-dioxide
CAS No: 27363-39-9 Catalog No: AG00BSO9 MDL No:MFCD01663229
Product Description
Catalog Number:
AG00BSO9
Chemical Name:
2H-1,2-Benzothiazin-3(4H)-one 1,1-dioxide
CAS Number:
27363-39-9
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD01663229
IUPAC Name:
1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
InChI:
InChI=1S/C8H7NO3S/c10-8-5-6-3-1-2-4-7(6)13(11,12)9-8/h1-4H,5H2,(H,9,10)
InChI Key:
JBWSEIGJTHGZRV-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2S(=O)(=O)N1
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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