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Home > Nitro Compounds > 1803585-50-3
1803585-50-3 | 6-nitro-1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-3-sulfonyl chloride
CAS No: 1803585-50-3 Catalog No: AG01A71D MDL No:MFCD28124988
Product Description
Catalog Number:
AG01A71D
Chemical Name:
6-nitro-1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-3-sulfonyl chloride
CAS Number:
1803585-50-3
Molecular Formula:
C8H6ClNO6S2
Molecular Weight:
311.7193
MDL Number:
MFCD28124988
IUPAC Name:
6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophene-3-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO6S2/c9-18(15,16)8-4-17(13,14)7-3-5(10(11)12)1-2-6(7)8/h1-3,8H,4H2
InChI Key:
OMOACBMXFQZECR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)CC2S(=O)(=O)Cl
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.933g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.707g/mol
Monoisotopic Mass:
310.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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