4-(3-carboxy-4-fluorophenyl)-2-fluorobenzoic acid


Chemical Name: 4-(3-carboxy-4-fluorophenyl)-2-fluorobenzoic acid
CAS Number: 1261956-34-6
Product Number: AG000S8M(AGN-PC-09O13V)
Synonyms:
MDL No:
Molecular Formula: C14H8F2O4
Molecular Weight: 278.2077

Identification/Properties


Computed Properties
Molecular Weight:
278.211g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
278.039g/mol
Monoisotopic Mass:
278.039g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
387
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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