Home Sulfos methyl 5-bromo-2-(chlorosulfonyl)benzoate

methyl 5-bromo-2-(chlorosulfonyl)benzoate

CAS No.:
736948-72-4
Catalog Number:
AG00ICFA
Molecular Formula:
C8H6BrClO4S
Molecular Weight:
313.5528
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Product Description
Catalog Number:
AG00ICFA
Chemical Name:
methyl 5-bromo-2-(chlorosulfonyl)benzoate
CAS Number:
736948-72-4
Molecular Formula:
C8H6BrClO4S
Molecular Weight:
313.5528
IUPAC Name:
methyl 5-bromo-2-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H6BrClO4S/c1-14-8(11)6-4-5(9)2-3-7(6)15(10,12)13/h2-4H,1H3
InChI Key:
CQSLXZHFTVZPCN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1S(=O)(=O)Cl
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.886g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.546g/mol
Monoisotopic Mass:
311.886g/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