Propanoic acid, 3-bromo-2-methyl-, methyl ester, (2S)-


Chemical Name: Propanoic acid, 3-bromo-2-methyl-, methyl ester, (2S)-
CAS Number: 98190-85-3
Product Number: AG003RJ5(AGN-PC-0OOTYW)
Synonyms:
MDL No:
Molecular Formula: C5H9BrO2
Molecular Weight: 181.02776

Identification/Properties


Properties
BP:
173.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.455(lit.)
Computed Properties
Molecular Weight:
181.029g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
179.979g/mol
Monoisotopic Mass:
179.979g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
82.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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