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Home Sulfos 2-Chloroethyl p-toluenesulfonate

2-Chloroethyl p-toluenesulfonate

CAS No.:
80-41-1
Catalog Number:
AG005LZD
Molecular Formula:
C9H11ClO3S
Molecular Weight:
234.6998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$19
- +
25g
96%
In Stock USA
United States
$44
- +
100g
96%
In Stock USA
United States
$119
- +
500g
96%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG005LZD
Chemical Name:
2-Chloroethyl p-toluenesulfonate
CAS Number:
80-41-1
Molecular Formula:
C9H11ClO3S
Molecular Weight:
234.6998
MDL Number:
MFCD00000970
IUPAC Name:
2-chloroethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChI Key:
ZXNMIUJDTOMBPV-UHFFFAOYSA-N
SMILES:
ClCCOS(=O)(=O)c1ccc(cc1)C
EC Number:
201-277-2
NSC Number:
6079
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.694g/mol
Monoisotopic Mass:
234.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Development of chromatographic methods for the determination of genotoxic impurities in cloperastine fendizoate. Journal of pharmaceutical and biomedical analysis 20120305
Properties