Home Sulfos methyl 4-bromo-5-(chlorosulfonyl)-2-fluorobenzoate

methyl 4-bromo-5-(chlorosulfonyl)-2-fluorobenzoate

CAS No.:
1155910-53-4
Catalog Number:
AG01AAIK
Molecular Formula:
C8H5BrClFO4S
Molecular Weight:
331.5433
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Product Description
Catalog Number:
AG01AAIK
Chemical Name:
methyl 4-bromo-5-(chlorosulfonyl)-2-fluorobenzoate
CAS Number:
1155910-53-4
Molecular Formula:
C8H5BrClFO4S
Molecular Weight:
331.5433
MDL Number:
MFCD12169494
IUPAC Name:
methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
InChI:
InChI=1S/C8H5BrClFO4S/c1-15-8(12)4-2-7(16(10,13)14)5(9)3-6(4)11/h2-3H,1H3
InChI Key:
AZHWNKSWWMAMNS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(cc1F)Br)S(=O)(=O)Cl
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