4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-methyl-


Chemical Name: 4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-methyl-
CAS Number: 1736-21-6
Product Number: AG001Z2H(AGN-PC-0KL0G6)
Synonyms:
MDL No:
Molecular Formula: C11H8FNO3
Molecular Weight: 221.1845

Identification/Properties


Computed Properties
Molecular Weight:
221.187g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
221.049g/mol
Monoisotopic Mass:
221.049g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
266
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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