5-Isoxazolemethanol, 3-bromo-


Chemical Name: 5-Isoxazolemethanol, 3-bromo-
CAS Number: 25742-00-1
Product Number: AG00BCKE(AGN-PC-0KKPDE)
Synonyms:
MDL No:
Molecular Formula: C4H4BrNO2
Molecular Weight: 177.9841

Identification/Properties


Computed Properties
Molecular Weight:
177.98g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
176.94254g/mol
Monoisotopic Mass:
176.94254g/mol
Topological Polar Surface Area:
46.3Ų
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
80.4
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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