Benzoic acid, 5-bromo-2-chloro-, 1,1-dimethylethyl ester


Chemical Name: Benzoic acid, 5-bromo-2-chloro-, 1,1-dimethylethyl ester
CAS Number: 503555-23-5
Product Number: AG00DACU(AGN-PC-03NG4O)
Synonyms:
MDL No:
Molecular Formula: C11H12BrClO2
Molecular Weight: 291.5688

Identification/Properties


Computed Properties
Molecular Weight:
291.569g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
289.971g/mol
Monoisotopic Mass:
289.971g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
237
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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