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


Chemical Name: Butanoic acid, 2-bromo-3-methyl-, ethyl ester
CAS Number: 609-12-1
Product Number: AG0034UA(AGN-PC-0JLRRO)
Synonyms:
MDL No:
Molecular Formula: C7H13BrO2
Molecular Weight: 209.0809

Identification/Properties


Properties
BP:
184°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.4485-1.4505
Computed Properties
Molecular Weight:
209.083g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
208.01g/mol
Monoisotopic Mass:
208.01g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
112
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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