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1000576-22-6 | 7-Fluoro-3-methoxy-4-methyl-4H-1,2,4-benzothiadiazin-1,1-dioxide
CAS No: 1000576-22-6 Catalog No: AG01F5RH MDL No:
Product Description
Catalog Number:
AG01F5RH
Chemical Name:
7-Fluoro-3-methoxy-4-methyl-4H-1,2,4-benzothiadiazin-1,1-dioxide
CAS Number:
1000576-22-6
Molecular Formula:
C9H9FN2O3S
Molecular Weight:
244.2428
IUPAC Name:
7-fluoro-3-methoxy-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C9H9FN2O3S/c1-12-7-4-3-6(10)5-8(7)16(13,14)11-9(12)15-2/h3-5H,1-2H3
InChI Key:
UCRRQCWAAKNXOE-UHFFFAOYSA-N
SMILES:
COC1=NS(=O)(=O)c2c(N1C)ccc(c2)F
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.24g/mol
Monoisotopic Mass:
244.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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