(4-Bromo-3-methylisoxazol-5-yl)methyl acetate


Chemical Name: (4-Bromo-3-methylisoxazol-5-yl)methyl acetate
CAS Number: 1380089-33-7
Product Number: AG0017TG(AGN-PC-0WAMJN)
Synonyms:
MDL No: MFCD24387374
Molecular Formula: C7H8BrNO3
Molecular Weight: 234.0473

Identification/Properties


Computed Properties
Molecular Weight:
234.049g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
232.969g/mol
Monoisotopic Mass:
232.969g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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


NMR Spectrum


Other Analytical Data


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