Home Nitros 2-nitro-p-toluenesulphonyl chloride

2-nitro-p-toluenesulphonyl chloride

CAS No.:
54090-41-4
Catalog Number:
AG00E40T
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
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Product Description
Catalog Number:
AG00E40T
Chemical Name:
2-nitro-p-toluenesulphonyl chloride
CAS Number:
54090-41-4
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD01365819
IUPAC Name:
4-methyl-2-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO4S/c1-5-2-3-7(14(8,12)13)6(4-5)9(10)11/h2-4H,1H3
InChI Key:
HEVNLMSJUFKWBS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl
EC Number:
258-970-8
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  
Properties