Home Sulfos 3-Methyl-5-nitrophenylsulfonyl chloride

3-Methyl-5-nitrophenylsulfonyl chloride

CAS No.:
342422-23-5
Catalog Number:
AG00C74F
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
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Product Description
Catalog Number:
AG00C74F
Chemical Name:
3-Methyl-5-nitrophenylsulfonyl chloride
CAS Number:
342422-23-5
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD09737481
IUPAC Name:
3-methyl-5-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO4S/c1-5-2-6(9(10)11)4-7(3-5)14(8,12)13/h2-4H,1H3
InChI Key:
NASIURWVNGTWSQ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)S(=O)(=O)Cl)[N+](=O)[O-]
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  
Properties