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1000576-27-1 | 7-Bromo-3-chloro-4-methyl-4H-1,2,4-benzothiadiazin-1,1-dioxide
CAS No: 1000576-27-1 Catalog No: AG01F640 MDL No:
Product Description
Catalog Number:
AG01F640
Chemical Name:
7-Bromo-3-chloro-4-methyl-4H-1,2,4-benzothiadiazin-1,1-dioxide
CAS Number:
1000576-27-1
Molecular Formula:
C8H6BrClN2O2S
Molecular Weight:
309.5674
IUPAC Name:
7-bromo-3-chloro-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C8H6BrClN2O2S/c1-12-6-3-2-5(9)4-7(6)15(13,14)11-8(12)10/h2-4H,1H3
InChI Key:
FWBBRILJLULNOD-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)S(=O)(=O)N=C(N2C)Cl
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.902g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.562g/mol
Monoisotopic Mass:
307.902g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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