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Home > Nitro Compounds > 616-83-1
616-83-1 | 4-Methyl-3-nitrobenzene-1-sulfonyl chloride
CAS No: 616-83-1 Catalog No: AG003LQO MDL No:MFCD00129811
Product Description
Catalog Number:
AG003LQO
Chemical Name:
4-Methyl-3-nitrobenzene-1-sulfonyl chloride
CAS Number:
616-83-1
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD00129811
IUPAC Name:
4-methyl-3-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3
InChI Key:
OQFYBGANSUNUAO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.638g/mol
Monoisotopic Mass:
234.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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