3-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-, ethyl ester


Chemical Name: 3-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-, ethyl ester
CAS Number: 33277-15-5
Product Number: AG00CHXR(AGN-PC-00FTO1)
Synonyms:
MDL No:
Molecular Formula: C12H10BrNO3
Molecular Weight: 296.1167

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
296.12g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
294.984g/mol
Monoisotopic Mass:
294.984g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
267
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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