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29632-82-4 | 1,2-Benzisothiazol-3(2H)-one, 5-bromo-, 1,1-dioxide
CAS No: 29632-82-4 Catalog No: AG002YXU MDL No:MFCD00469784
Product Description
Catalog Number:
AG002YXU
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 5-bromo-, 1,1-dioxide
CAS Number:
29632-82-4
Molecular Formula:
C7H4BrNO3S
Molecular Weight:
262.0806
MDL Number:
MFCD00469784
IUPAC Name:
5-bromo-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H4BrNO3S/c8-4-1-2-6-5(3-4)7(10)9-13(6,11)12/h1-3H,(H,9,10)
InChI Key:
CAQZLJNJEVYRLS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)NS2(=O)=O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.91g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.077g/mol
Monoisotopic Mass:
260.91g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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