Home Sulfos methyl 4-chloro-3-(fluorosulfonyl)benzoate

methyl 4-chloro-3-(fluorosulfonyl)benzoate

CAS No.:
1955499-69-0
Catalog Number:
AG01AMJ1
Molecular Formula:
C8H6ClFO4S
Molecular Weight:
252.6472
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Product Description
Catalog Number:
AG01AMJ1
Chemical Name:
methyl 4-chloro-3-(fluorosulfonyl)benzoate
CAS Number:
1955499-69-0
Molecular Formula:
C8H6ClFO4S
Molecular Weight:
252.6472
MDL Number:
MFCD28968609
IUPAC Name:
methyl 4-chloro-3-fluorosulfonylbenzoate
InChI:
InChI=1S/C8H6ClFO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3
InChI Key:
IGUQAMIOIRORLU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)S(=O)(=O)F)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:
251.966g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.64g/mol
Monoisotopic Mass:
251.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties