Butanoic acid, 2-bromo-3-methyl-, methyl ester


Chemical Name: Butanoic acid, 2-bromo-3-methyl-, methyl ester
CAS Number: 26330-51-8
Product Number: AG002SRW(AGN-PC-05RCY1)
Synonyms:
MDL No:
Molecular Formula: C6H11BrO2
Molecular Weight: 195.0543

Identification/Properties


Properties
BP:
177°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Refractive Index:
1.4530 (estimate)
Computed Properties
Molecular Weight:
195.056g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
193.994g/mol
Monoisotopic Mass:
193.994g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H302-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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