Home Sulfos methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate

methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate

CAS No.:
2137649-82-0
Catalog Number:
AG01EIVT
Molecular Formula:
C8H4ClF3O4S
Molecular Weight:
288.6282
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Product Description
Catalog Number:
AG01EIVT
Chemical Name:
methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate
CAS Number:
2137649-82-0
Molecular Formula:
C8H4ClF3O4S
Molecular Weight:
288.6282
MDL Number:
MFCD31421767
IUPAC Name:
methyl 5-chlorosulfonyl-2,3,4-trifluorobenzoate
InChI:
InChI=1S/C8H4ClF3O4S/c1-16-8(13)3-2-4(17(9,14)15)6(11)7(12)5(3)10/h2H,1H3
InChI Key:
VPNCPEVPFPFWCX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(c(c1F)F)F)S(=O)(=O)Cl
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.947g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.621g/mol
Monoisotopic Mass:
287.947g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties