Cyclohexanecarboxylic acid, 3-bromo-2-oxo-, ethyl ester


Chemical Name: Cyclohexanecarboxylic acid, 3-bromo-2-oxo-, ethyl ester
CAS Number: 30132-23-1
Product Number: AG007JHP(AGN-PC-094MXY)
Synonyms:
MDL No:
Molecular Formula: C9H13BrO3
Molecular Weight: 249.1017

Identification/Properties


Computed Properties
Molecular Weight:
249.104g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
248.005g/mol
Monoisotopic Mass:
248.005g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
215
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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