Home Halogens 6-bromo-3,4-dihydro-2H-1,2-benzothiazine-1,1,3-trione

6-bromo-3,4-dihydro-2H-1,2-benzothiazine-1,1,3-trione

CAS No.:
1803567-42-1
Catalog Number:
AG01BBTY
Molecular Formula:
C8H6BrNO3S
Molecular Weight:
276.1071
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Product Description
Catalog Number:
AG01BBTY
Chemical Name:
6-bromo-3,4-dihydro-2H-1,2-benzothiazine-1,1,3-trione
CAS Number:
1803567-42-1
Molecular Formula:
C8H6BrNO3S
Molecular Weight:
276.1071
MDL Number:
MFCD28954090
IUPAC Name:
6-bromo-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
InChI:
InChI=1S/C8H6BrNO3S/c9-6-1-2-7-5(3-6)4-8(11)10-14(7,12)13/h1-3H,4H2,(H,10,11)
InChI Key:
ZUDCVPVAVABRMH-UHFFFAOYSA-N
SMILES:
O=C1Cc2cc(Br)ccc2S(=O)(=O)N1
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