Home Sulfos 5-chloro-4-(fluorosulfonyl)-2-methoxybenzoic acid

5-chloro-4-(fluorosulfonyl)-2-methoxybenzoic acid

CAS No.:
1955558-41-4
Catalog Number:
AG01AMFA
Molecular Formula:
C8H6ClFO5S
Molecular Weight:
268.6466
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Product Description
Catalog Number:
AG01AMFA
Chemical Name:
5-chloro-4-(fluorosulfonyl)-2-methoxybenzoic acid
CAS Number:
1955558-41-4
Molecular Formula:
C8H6ClFO5S
Molecular Weight:
268.6466
MDL Number:
MFCD28968473
IUPAC Name:
5-chloro-4-fluorosulfonyl-2-methoxybenzoic acid
InChI:
InChI=1S/C8H6ClFO5S/c1-15-6-3-7(16(10,13)14)5(9)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
SQFBPUXJZFNDSI-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1C(=O)O)Cl)S(=O)(=O)F
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.961g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.639g/mol
Monoisotopic Mass:
267.961g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties