3-(bromomethyl)-4-methyl-1,2-oxazole


Chemical Name: 3-(bromomethyl)-4-methyl-1,2-oxazole
CAS Number: 952195-21-0
Product Number: AG01DTE8(AG01DTE8)
Synonyms:
MDL No:
Molecular Formula: C5H6BrNO
Molecular Weight: 176.0112

Identification/Properties


Computed Properties
Molecular Weight:
176.013g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
174.963g/mol
Monoisotopic Mass:
174.963g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
78.8
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

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NMR Spectrum


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