Home Sulfos Methyl 3-(chlorosulfonyl)-4-methylbenzoate

Methyl 3-(chlorosulfonyl)-4-methylbenzoate

CAS No.:
372198-41-9
Catalog Number:
AG00CKZZ
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00CKZZ
Chemical Name:
Methyl 3-(chlorosulfonyl)-4-methylbenzoate
CAS Number:
372198-41-9
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD09746474
IUPAC Name:
methyl 3-chlorosulfonyl-4-methylbenzoate
InChI:
InChI=1S/C9H9ClO4S/c1-6-3-4-7(9(11)14-2)5-8(6)15(10,12)13/h3-5H,1-2H3
InChI Key:
WOEQFPLAEXQVEJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)S(=O)(=O)Cl)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties