Isoxazole, 4-(chloromethyl)-3,5-dimethyl-


Chemical Name: Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
CAS Number: 19788-37-5
Product Number: AG002B4U(AGN-PC-0JLXAY)
Synonyms:
MDL No: MFCD00003154
Molecular Formula: C6H8ClNO
Molecular Weight: 145.5868

Identification/Properties


Properties
MP:
88-90°C
BP:
220.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.486(lit.)
Computed Properties
Molecular Weight:
145.586g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
145.029g/mol
Monoisotopic Mass:
145.029g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
99.1
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


NMR Spectrum


Other Analytical Data


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