Home Sulfos methyl 4-bromo-2-(chlorosulfonyl)benzoate

methyl 4-bromo-2-(chlorosulfonyl)benzoate

CAS No.:
1374249-95-2
Catalog Number:
AG01B909
Molecular Formula:
C8H6BrClO4S
Molecular Weight:
313.5528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B909
Chemical Name:
methyl 4-bromo-2-(chlorosulfonyl)benzoate
CAS Number:
1374249-95-2
Molecular Formula:
C8H6BrClO4S
Molecular Weight:
313.5528
MDL Number:
MFCD30342714
IUPAC Name:
methyl 4-bromo-2-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H6BrClO4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,1H3
InChI Key:
BXVOUPRBGBQUOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1S(=O)(=O)Cl)Br
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