Home Other Building Blocks 2-(2-FLUOROBENZENESULFONYL)ACETIC ACID

2-(2-FLUOROBENZENESULFONYL)ACETIC ACID

CAS No.:
1152523-46-0
Catalog Number:
AG01DV01
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
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Product Description
Catalog Number:
AG01DV01
Chemical Name:
2-(2-FLUOROBENZENESULFONYL)ACETIC ACID
CAS Number:
1152523-46-0
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
MDL Number:
MFCD10693125
IUPAC Name:
2-(2-fluorophenyl)sulfonylacetic acid
InChI:
InChI=1S/C8H7FO4S/c9-6-3-1-2-4-7(6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
IHRONCAKXTYNOD-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)c1ccccc1F
Properties
Complexity:
306  
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:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties