Isoxazole, 3-(chloromethyl)-5-methyl-


Chemical Name: Isoxazole, 3-(chloromethyl)-5-methyl-
CAS Number: 35166-37-1
Product Number: AG00I6YX(AGN-PC-0KK7BW)
Synonyms:
MDL No:
Molecular Formula: C5H6ClNO
Molecular Weight: 131.5602

Identification/Properties


Properties
BP:
215.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
131.559g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
131.014g/mol
Monoisotopic Mass:
131.014g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
78.8
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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