4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-


Chemical Name: 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CAS Number: 23598-72-3
Product Number: AG002NU9(AGN-PC-0JLYI5)
Synonyms:
MDL No:
Molecular Formula: C11H8ClNO3
Molecular Weight: 237.6391

Identification/Properties


Properties
MP:
186 °C
BP:
374.5 °C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
237.639g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
237.019g/mol
Monoisotopic Mass:
237.019g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
274
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:
H302
Precautionary Statements:
P301+P312+P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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