Benzeneacetic acid, 4-bromo-, 1,1-dimethylethyl ester


Chemical Name: Benzeneacetic acid, 4-bromo-, 1,1-dimethylethyl ester
CAS Number: 33155-58-7
Product Number: AG003UJ5(AGN-PC-002ISF)
Synonyms:
MDL No: MFCD11975535
Molecular Formula: C12H15BrO2
Molecular Weight: 271.1503

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
271.154g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
270.026g/mol
Monoisotopic Mass:
270.026g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
212
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:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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