3-(3-carboxy-5-fluorophenyl)-5-nitrobenzoic acid


Chemical Name: 3-(3-carboxy-5-fluorophenyl)-5-nitrobenzoic acid
CAS Number: 1261898-31-0
Product Number: AG000S4P(AGN-PC-09O13F)
Synonyms:
MDL No:
Molecular Formula: C14H8FNO6
Molecular Weight: 305.2148

Identification/Properties


Computed Properties
Molecular Weight:
305.217g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
305.034g/mol
Monoisotopic Mass:
305.034g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
465
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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