Home Other Building Blocks 7-BROMO-2,3-DIHYDRO-4H-1,3-BENZOTHIAZIN-4-ONE 1,1-DIOXIDE

7-BROMO-2,3-DIHYDRO-4H-1,3-BENZOTHIAZIN-4-ONE 1,1-DIOXIDE

CAS No.:
1823553-64-5
Catalog Number:
AG01DZ27
Molecular Formula:
C8H6BrNO3S
Molecular Weight:
276.1071
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Product Description
Catalog Number:
AG01DZ27
Chemical Name:
7-BROMO-2,3-DIHYDRO-4H-1,3-BENZOTHIAZIN-4-ONE 1,1-DIOXIDE
CAS Number:
1823553-64-5
Molecular Formula:
C8H6BrNO3S
Molecular Weight:
276.1071
MDL Number:
MFCD28140767
IUPAC Name:
7-bromo-1,1-dioxo-2,3-dihydro-1λ6,3-benzothiazin-4-one
InChI:
InChI=1S/C8H6BrNO3S/c9-5-1-2-6-7(3-5)14(12,13)4-10-8(6)11/h1-3H,4H2,(H,10,11)
InChI Key:
JXXRRXKMTXVLER-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)S(=O)(=O)CNC2=O
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.925g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.104g/mol
Monoisotopic Mass:
274.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties