Home Sulfos methyl 2-bromo-3-(chlorosulfonyl)benzoate

methyl 2-bromo-3-(chlorosulfonyl)benzoate

CAS No.:
1692461-78-1
Catalog Number:
AG01BBH6
Molecular Formula:
C8H6BrClO4S
Molecular Weight:
313.5528
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Product Description
Catalog Number:
AG01BBH6
Chemical Name:
methyl 2-bromo-3-(chlorosulfonyl)benzoate
CAS Number:
1692461-78-1
Molecular Formula:
C8H6BrClO4S
Molecular Weight:
313.5528
MDL Number:
MFCD28954079
IUPAC Name:
methyl 2-bromo-3-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H6BrClO4S/c1-14-8(11)5-3-2-4-6(7(5)9)15(10,12)13/h2-4H,1H3
InChI Key:
GZSHSQGWNYAGFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Br)S(=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:
2.5  
Properties