Name: Name:3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide
Brand: Angene
SKU: AG01DW56
Rating: 90 (10 reviews)

3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide

CAS No.:

201224-76-2

Catalog Number:

AG01DW56

Molecular Formula:

C8H6N2O5S

Molecular Weight:

242.2086

Catalog Number:

AG01DW56

Chemical Name:

3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide

CAS Number:

201224-76-2

Molecular Formula:

C8H6N2O5S

Molecular Weight:

242.2086

MDL Number:

MFCD09030733

IUPAC Name:

1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylic acid

InChI:

InChI=1S/C8H6N2O5S/c11-7(12)4-1-2-5-6(3-4)16(14,15)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)

InChI Key:

IUFVBLNYWMTPOB-UHFFFAOYSA-N

SMILES:

O=C1Nc2ccc(cc2S(=O)(=O)N1)C(=O)O

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.205g/mol

Monoisotopic Mass:

242g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3