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101063-92-7 | 2H-1,2,4-Benzothiadiazine-3-propanoic acid, 6-chloro-, 1,1-dioxide
CAS No: 101063-92-7 Catalog No: AG0003NO MDL No:
Product Description
Catalog Number:
AG0003NO
Chemical Name:
2H-1,2,4-Benzothiadiazine-3-propanoic acid, 6-chloro-, 1,1-dioxide
CAS Number:
101063-92-7
Molecular Formula:
C10H9ClN2O4S
Molecular Weight:
288.7075
IUPAC Name:
3-(6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanoic acid
InChI:
InChI=1S/C10H9ClN2O4S/c11-6-1-2-8-7(5-6)12-9(3-4-10(14)15)13-18(8,16)17/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChI Key:
BZCZSFSMKFOMOK-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1=Nc2cc(Cl)ccc2S(=O)(=O)N1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.702g/mol
Monoisotopic Mass:
287.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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