Home Other Building Blocks 3-Chloro-2,4,5,6-tetrafluorobenzoic acid

3-Chloro-2,4,5,6-tetrafluorobenzoic acid

CAS No.:
5360-81-6
Catalog Number:
AG003J6E
Molecular Formula:
C7HClF4O2
Molecular Weight:
228.5283
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Product Description
Catalog Number:
AG003J6E
Chemical Name:
3-Chloro-2,4,5,6-tetrafluorobenzoic acid
CAS Number:
5360-81-6
Molecular Formula:
C7HClF4O2
Molecular Weight:
228.5283
MDL Number:
MFCD03001168
IUPAC Name:
3-chloro-2,4,5,6-tetrafluorobenzoic acid
InChI:
InChI=1S/C7HClF4O2/c8-2-3(9)1(7(13)14)4(10)6(12)5(2)11/h(H,13,14)
InChI Key:
FYAPWZAOGRABCC-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(F)c(c(c1F)Cl)F
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.96g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.527g/mol
Monoisotopic Mass:
227.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties