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Home > Nitro Compounds > 69824-57-3
69824-57-3 | 3-Thiophenesulfonyl chloride, 5-nitro-
CAS No: 69824-57-3 Catalog No: AG005HNP MDL No:MFCD19200225
Product Description
Catalog Number:
AG005HNP
Chemical Name:
3-Thiophenesulfonyl chloride, 5-nitro-
CAS Number:
69824-57-3
Molecular Formula:
C4H2ClNO4S2
Molecular Weight:
227.6460
MDL Number:
MFCD19200225
IUPAC Name:
5-nitrothiophene-3-sulfonyl chloride
InChI:
InChI=1S/C4H2ClNO4S2/c5-12(9,10)3-1-4(6(7)8)11-2-3/h1-2H
InChI Key:
FLUCEXVDXIPPFI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1scc(c1)S(=O)(=O)Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.911g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.633g/mol
Monoisotopic Mass:
226.911g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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