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87474-11-1 | 1,3-Benzoxathiole-4-sulfonyl chloride
CAS No: 87474-11-1 Catalog No: AG004I76 MDL No:
Product Description
Catalog Number:
AG004I76
Chemical Name:
1,3-Benzoxathiole-4-sulfonyl chloride
CAS Number:
87474-11-1
Molecular Formula:
C7H5ClO3S2
Molecular Weight:
236.6958
IUPAC Name:
1,3-benzoxathiole-4-sulfonyl chloride
InChI:
InChI=1S/C7H5ClO3S2/c8-13(9,10)6-3-1-2-5-7(6)12-4-11-5/h1-3H,4H2
InChI Key:
HBZHBBNIHDQPHZ-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc2c1SCO2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.684g/mol
Monoisotopic Mass:
235.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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