Home Sulfos 4-(fluorosulfonyl)-2-methylbenzoic acid

4-(fluorosulfonyl)-2-methylbenzoic acid

CAS No.:
1934400-55-1
Catalog Number:
AG01AMGT
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
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Product Description
Catalog Number:
AG01AMGT
Chemical Name:
4-(fluorosulfonyl)-2-methylbenzoic acid
CAS Number:
1934400-55-1
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
MDL Number:
MFCD28968530
IUPAC Name:
4-fluorosulfonyl-2-methylbenzoic acid
InChI:
InChI=1S/C8H7FO4S/c1-5-4-6(14(9,12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
KNWRRJFDXKCHRW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)S(=O)(=O)F
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.198g/mol
Monoisotopic Mass:
218.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties