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Home Sulfos 3,4-Dimethylbenzenesulfonyl chloride

3,4-Dimethylbenzenesulfonyl chloride

CAS No.:
2905-30-8
Catalog Number:
AG002VC3
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$51
- +
5g
95%
In Stock USA
United States
$111
- +
25g
95%
In Stock USA
United States
$294
- +
Product Description
Catalog Number:
AG002VC3
Chemical Name:
3,4-Dimethylbenzenesulfonyl chloride
CAS Number:
2905-30-8
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
MDL Number:
MFCD00625742
IUPAC Name:
3,4-dimethylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H9ClO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3
InChI Key:
DNMQPRPJIWTNAX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)S(=O)(=O)Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.668g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
1-[(4,5-Dimethyl-cyclo-hexa-1,4-dien-1-yl)sulfon-yl]-4-methyl-benzene. Acta crystallographica. Section E, Structure reports online 20080901
Properties