Butanoic acid, 4-bromo-, ethyl ester


Chemical Name: Butanoic acid, 4-bromo-, ethyl ester
CAS Number: 2969-81-5
Product Number: AG002Z4S(AGN-PC-0JLPXN)
Synonyms:
MDL No:
Molecular Formula: C6H11BrO2
Molecular Weight: 195.0543

Identification/Properties


Properties
BP:
198.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.456(lit.)
Computed Properties
Molecular Weight:
195.056g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
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:
83.1
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


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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