Home Sulfos methyl 3,5-dichloro-2-(chlorosulfonyl)benzoate

methyl 3,5-dichloro-2-(chlorosulfonyl)benzoate

CAS No.:
1098387-68-8
Catalog Number:
AG01B9YG
Molecular Formula:
C8H5Cl3O4S
Molecular Weight:
303.5469
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Product Description
Catalog Number:
AG01B9YG
Chemical Name:
methyl 3,5-dichloro-2-(chlorosulfonyl)benzoate
CAS Number:
1098387-68-8
Molecular Formula:
C8H5Cl3O4S
Molecular Weight:
303.5469
MDL Number:
MFCD11650112
IUPAC Name:
methyl 3,5-dichloro-2-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H5Cl3O4S/c1-15-8(12)5-2-4(9)3-6(10)7(5)16(11,13)14/h2-3H,1H3
InChI Key:
CSHBGJPMGIOCJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc(c1S(=O)(=O)Cl)Cl
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.897g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.534g/mol
Monoisotopic Mass:
301.897g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties