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19492-87-6 | 5-Bromobenzothiophene 1,1-Dioxide
CAS No: 19492-87-6 Catalog No: AG01EN84 MDL No:
Product Description
Catalog Number:
AG01EN84
Chemical Name:
5-Bromobenzothiophene 1,1-Dioxide
CAS Number:
19492-87-6
IUPAC Name:
5-bromo-1-benzothiophene 1,1-dioxide
InChI:
InChI=1S/C8H5BrO2S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-5H
InChI Key:
SHMDLUBMDUJLOG-UHFFFAOYSA-N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.919g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.09g/mol
Monoisotopic Mass:
243.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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