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114322-14-4 | Benzo[c][1,2,5]oxadiazole-4-sulfonyl chloride
CAS No: 114322-14-4 Catalog No: AG000B2K MDL No:MFCD00068072
Product Description
Catalog Number:
AG000B2K
Chemical Name:
Benzo[c][1,2,5]oxadiazole-4-sulfonyl chloride
CAS Number:
114322-14-4
Molecular Formula:
C6H3ClN2O3S
Molecular Weight:
218.6176
MDL Number:
MFCD00068072
IUPAC Name:
2,1,3-benzoxadiazole-4-sulfonyl chloride
InChI:
InChI=1S/C6H3ClN2O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
InChI Key:
SIYWVPMYOGMRDW-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc2c1non2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.611g/mol
Monoisotopic Mass:
217.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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