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820214-17-3 | 2H-1,2,4-Benzothiadiazin-5-ol, 3-[(2-chlorophenyl)amino]-, 1,1-dioxide
CAS No: 820214-17-3 Catalog No: AG0053QG MDL No:
Product Description
Catalog Number:
AG0053QG
Chemical Name:
2H-1,2,4-Benzothiadiazin-5-ol, 3-[(2-chlorophenyl)amino]-, 1,1-dioxide
CAS Number:
820214-17-3
Molecular Formula:
C13H10ClN3O3S
Molecular Weight:
323.7548
IUPAC Name:
3-(2-chloroanilino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
InChI:
InChI=1S/C13H10ClN3O3S/c14-8-4-1-2-5-9(8)15-13-16-12-10(18)6-3-7-11(12)21(19,20)17-13/h1-7,18H,(H2,15,16,17)
InChI Key:
OPHVRMBDDUQBHY-UHFFFAOYSA-N
SMILES:
Clc1ccccc1NC1=Nc2c(O)cccc2S(=O)(=O)N1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.751g/mol
Monoisotopic Mass:
323.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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