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


Chemical Name: Butanoic acid, 4-bromo-, 1,1-dimethylethyl ester
CAS Number: 110661-91-1
Product Number: AG008S87(AGN-PC-0KKLMX)
Synonyms:
MDL No:
Molecular Formula: C8H15BrO2
Molecular Weight: 223.1075

Identification/Properties


Computed Properties
Molecular Weight:
223.11g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
222.026g/mol
Monoisotopic Mass:
222.026g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
127
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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