Butanoic acid, 2-bromo-3-methyl-, (2S)-


Chemical Name: Butanoic acid, 2-bromo-3-methyl-, (2S)-
CAS Number: 26782-75-2
Product Number: AG003CEX(AGN-PC-0O8GAF)
Synonyms:
MDL No:
Molecular Formula: C5H9BrO2
Molecular Weight: 181.0278

Identification/Properties


Properties
MP:
39-44°C
BP:
230°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
181.029g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
179.979g/mol
Monoisotopic Mass:
179.979g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
90.4
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:
Danger
UN#:
3261
Hazard Statements:
H302-H312-H314-H332
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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