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128852-05-1 | Benzo[b]thiophene-5-sulfonyl chloride
CAS No: 128852-05-1 Catalog No: AG000YFY MDL No:MFCD19201024
Product Description
Catalog Number:
AG000YFY
Chemical Name:
Benzo[b]thiophene-5-sulfonyl chloride
CAS Number:
128852-05-1
Molecular Formula:
C8H5ClO2S2
Molecular Weight:
232.7071
MDL Number:
MFCD19201024
IUPAC Name:
1-benzothiophene-5-sulfonyl chloride
InChI:
InChI=1S/C8H5ClO2S2/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChI Key:
GBTJHYDVNAYQMM-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)ccs2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.942g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.696g/mol
Monoisotopic Mass:
231.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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