Home Sulfos methyl 3-chloro-4-(chlorosulfonyl)benzoate

methyl 3-chloro-4-(chlorosulfonyl)benzoate

CAS No.:
874830-93-0
Catalog Number:
AG01A8SS
Molecular Formula:
C8H6Cl2O4S
Molecular Weight:
269.1018
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Product Description
Catalog Number:
AG01A8SS
Chemical Name:
methyl 3-chloro-4-(chlorosulfonyl)benzoate
CAS Number:
874830-93-0
Molecular Formula:
C8H6Cl2O4S
Molecular Weight:
269.1018
MDL Number:
MFCD06637330
IUPAC Name:
methyl 3-chloro-4-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H6Cl2O4S/c1-14-8(11)5-2-3-7(6(9)4-5)15(10,12)13/h2-4H,1H3
InChI Key:
WNVARFWSYISQGK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)S(=O)(=O)Cl
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.936g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.092g/mol
Monoisotopic Mass:
267.936g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties