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201224-26-2 | 2H-1,2,4-Benzothiadiazin-3-amine, N-cyclobutyl-7-fluoro-, 1,1-dioxide
CAS No: 201224-26-2 Catalog No: AG002D9F MDL No:
Product Description
Catalog Number:
AG002D9F
Chemical Name:
2H-1,2,4-Benzothiadiazin-3-amine, N-cyclobutyl-7-fluoro-, 1,1-dioxide
CAS Number:
201224-26-2
Molecular Formula:
C11H12FN3O2S
Molecular Weight:
269.2953
IUPAC Name:
N-cyclobutyl-7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
InChI:
InChI=1S/C11H12FN3O2S/c12-7-4-5-9-10(6-7)18(16,17)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,14,15)
InChI Key:
SYOLSSXYGJHFDG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)S(=O)(=O)NC(=N2)NC1CCC1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.294g/mol
Monoisotopic Mass:
269.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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