Isoxazole, 5-(bromomethyl)-


Chemical Name: Isoxazole, 5-(bromomethyl)-
CAS Number: 69735-35-9
Product Number: AG005IDD(AGN-PC-0MXN7C)
Synonyms:
MDL No:
Molecular Formula: C4H4BrNO
Molecular Weight: 161.9847

Identification/Properties


Properties
BP:
214.198°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
161.986g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
160.948g/mol
Monoisotopic Mass:
160.948g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
59.7
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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