Benzoic acid, 3-bromo-, 1,1-dimethylethyl ester


Chemical Name: Benzoic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS Number: 69038-74-0
Product Number: AG00FARX(AGN-PC-0JM9L9)
Synonyms:
MDL No:
Molecular Formula: C11H13BrO2
Molecular Weight: 257.1237

Identification/Properties


Computed Properties
Molecular Weight:
257.127g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
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:
208
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

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NMR Spectrum


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