Benzenepropanoic acid, 2-bromo-, ethyl ester


Chemical Name: Benzenepropanoic acid, 2-bromo-, ethyl ester
CAS Number: 135613-33-1
Product Number: AG006YHJ(AGN-PC-0N7I4J)
Synonyms:
MDL No:
Molecular Formula: C11H13BrO2
Molecular Weight: 257.1237

Identification/Properties


Computed Properties
Molecular Weight:
257.127g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
256.01g/mol
Monoisotopic Mass:
256.01g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
182
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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