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Home > Nitro Compounds > 1249387-13-0
1249387-13-0 | (5-NITROTHIOPHEN-3-YL)METHANESULFONYL CHLORIDE
CAS No: 1249387-13-0 Catalog No: AG01B2YV MDL No:MFCD16671702
Product Description
Catalog Number:
AG01B2YV
Chemical Name:
(5-NITROTHIOPHEN-3-YL)METHANESULFONYL CHLORIDE
CAS Number:
1249387-13-0
Molecular Formula:
C5H4ClNO4S2
Molecular Weight:
241.6726
MDL Number:
MFCD16671702
IUPAC Name:
(5-nitrothiophen-3-yl)methanesulfonyl chloride
InChI:
InChI=1S/C5H4ClNO4S2/c6-13(10,11)3-4-1-5(7(8)9)12-2-4/h1-2H,3H2
InChI Key:
BPZJGMOZICSUTC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1scc(c1)CS(=O)(=O)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.927g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.66g/mol
Monoisotopic Mass:
240.927g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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