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115010-11-2 | 5-Benzofuransulfonyl chloride, 2,3-dihydro-
CAS No: 115010-11-2 Catalog No: AG000FM6 MDL No:MFCD02677703
Product Description
Catalog Number:
AG000FM6
Chemical Name:
5-Benzofuransulfonyl chloride, 2,3-dihydro-
CAS Number:
115010-11-2
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
MDL Number:
MFCD02677703
IUPAC Name:
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
InChI:
InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChI Key:
RVWYPBARHGPULM-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)CCO2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.651g/mol
Monoisotopic Mass:
217.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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