Home Sulfos ethyl 3-(chlorosulfonyl)-4-fluorobenzoate

ethyl 3-(chlorosulfonyl)-4-fluorobenzoate

CAS No.:
1155084-23-3
Catalog Number:
AG01BANX
Molecular Formula:
C9H8ClFO4S
Molecular Weight:
266.6738
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Product Description
Catalog Number:
AG01BANX
Chemical Name:
ethyl 3-(chlorosulfonyl)-4-fluorobenzoate
CAS Number:
1155084-23-3
Molecular Formula:
C9H8ClFO4S
Molecular Weight:
266.6738
MDL Number:
MFCD12169506
IUPAC Name:
ethyl 3-chlorosulfonyl-4-fluorobenzoate
InChI:
InChI=1S/C9H8ClFO4S/c1-2-15-9(12)6-3-4-7(11)8(5-6)16(10,13)14/h3-5H,2H2,1H3
InChI Key:
MHWWIBUTBWNCAQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)S(=O)(=O)Cl)F
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.982g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.667g/mol
Monoisotopic Mass:
265.982g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties