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Home > Nitro Compounds > 121-02-8
121-02-8 | 2-Methyl-5-nitrobenzene-1-sulfonyl chloride
CAS No: 121-02-8 Catalog No: AG003HNM MDL No:MFCD00051695
Product Description
Catalog Number:
AG003HNM
Chemical Name:
2-Methyl-5-nitrobenzene-1-sulfonyl chloride
CAS Number:
121-02-8
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD00051695
IUPAC Name:
2-methyl-5-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3
InChI Key:
WPGVQDHXOUAJBW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)Cl)C
EC Number:
204-444-8
NSC Number:
49752
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:
2.1
Literature
| Title | Journal |
|---|---|
| 2-Methyl-5-nitro-benzene-sulfonamide. | Acta crystallographica. Section E, Structure reports online 20100101 |
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