Home Sulfos methyl 4-bromo-3-(chlorosulfonyl)-5-fluorobenzoate

methyl 4-bromo-3-(chlorosulfonyl)-5-fluorobenzoate

CAS No.:
1249508-42-6
Catalog Number:
AG01ACUV
Molecular Formula:
C8H5BrClFO4S
Molecular Weight:
331.5433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ACUV
Chemical Name:
methyl 4-bromo-3-(chlorosulfonyl)-5-fluorobenzoate
CAS Number:
1249508-42-6
Molecular Formula:
C8H5BrClFO4S
Molecular Weight:
331.5433
MDL Number:
MFCD16084851
IUPAC Name:
methyl 4-bromo-3-chlorosulfonyl-5-fluorobenzoate
InChI:
InChI=1S/C8H5BrClFO4S/c1-15-8(12)4-2-5(11)7(9)6(3-4)16(10,13)14/h2-3H,1H3
InChI Key:
URAAFJAHZIQKCN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)S(=O)(=O)Cl)Br
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.876g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.536g/mol
Monoisotopic Mass:
329.876g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties