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Home > Nitro Compounds > 61714-77-0
61714-77-0 | 5-methyl-4-nitrothiophene-2-sulfonyl chloride
CAS No: 61714-77-0 Catalog No: AG01AHV2 MDL No:MFCD18838720
Product Description
Catalog Number:
AG01AHV2
Chemical Name:
5-methyl-4-nitrothiophene-2-sulfonyl chloride
CAS Number:
61714-77-0
Molecular Formula:
C5H4ClNO4S2
Molecular Weight:
241.6726
MDL Number:
MFCD18838720
IUPAC Name:
5-methyl-4-nitrothiophene-2-sulfonyl chloride
InChI:
InChI=1S/C5H4ClNO4S2/c1-3-4(7(8)9)2-5(12-3)13(6,10)11/h2H,1H3
InChI Key:
BWPJUUORYGNWKW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(sc1C)S(=O)(=O)Cl
Properties
Complexity:
306
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:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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