5-Isoxazolamine, 3-[3-(trifluoromethyl)phenyl]-


Chemical Name: 5-Isoxazolamine, 3-[3-(trifluoromethyl)phenyl]-
CAS Number: 82360-94-9
Product Number: AG003MDO(AGN-PC-00KK3Z)
Synonyms:
MDL No: MFCD07787059
Molecular Formula: C10H7F3N2O
Molecular Weight: 228.1706

Identification/Properties


Properties
MP:
91-93 °C
Form:
Solid
Computed Properties
Molecular Weight:
228.174g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
228.051g/mol
Monoisotopic Mass:
228.051g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
247
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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