Propanoic acid, 3-bromo-2-(bromomethyl)-


Chemical Name: Propanoic acid, 3-bromo-2-(bromomethyl)-
CAS Number: 41459-42-1
Product Number: AG0033LQ(AGN-PC-0JOXRA)
Synonyms:
MDL No:
Molecular Formula: C4H6Br2O2
Molecular Weight: 245.8972

Identification/Properties


Properties
MP:
98-101 °C(lit.);
BP:
286.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
Soluble in acetic acid.
Computed Properties
Molecular Weight:
245.898g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
245.871g/mol
Monoisotopic Mass:
243.873g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
80.1
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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