Home Sulfos 4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid

4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid

CAS No.:
57479-73-9
Catalog Number:
AG00EKBN
Molecular Formula:
C8H6Cl2O5S
Molecular Weight:
285.1012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$144
- +
5g
97%
In Stock USA
United States
$407
- +
25g
97%
In Stock USA
United States
$1207
- +
Product Description
Catalog Number:
AG00EKBN
Chemical Name:
4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid
CAS Number:
57479-73-9
Molecular Formula:
C8H6Cl2O5S
Molecular Weight:
285.1012
MDL Number:
MFCD22565622
IUPAC Name:
4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
InChI:
InChI=1S/C8H6Cl2O5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
KGGQSUTYQMJRNQ-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)Cl
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.931g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.091g/mol
Monoisotopic Mass:
283.931g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties