Home Sulfos ethyl 4-bromo-3-(chlorosulfonyl)-5-methylbenzoate

ethyl 4-bromo-3-(chlorosulfonyl)-5-methylbenzoate

CAS No.:
1567126-27-5
Catalog Number:
AG01C32C
Molecular Formula:
C10H10BrClO4S
Molecular Weight:
341.6060
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Product Description
Catalog Number:
AG01C32C
Chemical Name:
ethyl 4-bromo-3-(chlorosulfonyl)-5-methylbenzoate
CAS Number:
1567126-27-5
Molecular Formula:
C10H10BrClO4S
Molecular Weight:
341.6060
MDL Number:
MFCD26856203
IUPAC Name:
ethyl 4-bromo-3-chlorosulfonyl-5-methylbenzoate
InChI:
InChI=1S/C10H10BrClO4S/c1-3-16-10(13)7-4-6(2)9(11)8(5-7)17(12,14)15/h4-5H,3H2,1-2H3
InChI Key:
QNGFZMBNQKGMAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)c(c(c1)S(=O)(=O)Cl)Br
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.917g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.6g/mol
Monoisotopic Mass:
339.917g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties