Home Sulfos 3-Nitrophenylmethanesulfonyl chloride

3-Nitrophenylmethanesulfonyl chloride

CAS No.:
58032-84-1
Catalog Number:
AG003JTQ
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$170
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Product Description
Catalog Number:
AG003JTQ
Chemical Name:
3-Nitrophenylmethanesulfonyl chloride
CAS Number:
58032-84-1
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD01859935
IUPAC Name:
(3-nitrophenyl)methanesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChI Key:
IUYFKLDRPZLAQQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CS(=O)(=O)Cl
Properties
Complexity:
305  
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:
2  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis of sulfonamide-based kinase inhibitors from sulfonates by exploiting the abrogated SN2 reactivity of 2,2,2-trifluoroethoxysulfonates. Organic & biomolecular chemistry 20100521
Properties