Cyclohexanecarboxylic acid, 1-bromo-, methyl ester


Chemical Name: Cyclohexanecarboxylic acid, 1-bromo-, methyl ester
CAS Number: 3196-23-4
Product Number: AG003RK4(AGN-PC-0KVRQH)
Synonyms:
MDL No:
Molecular Formula: C8H13BrO2
Molecular Weight: 221.0916

Identification/Properties


Properties
MP:
115-116 °C at 19 mmHg(lit.);
BP:
221.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
221.094g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
220.01g/mol
Monoisotopic Mass:
220.01g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
150
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:
Danger
UN#:
3265
Hazard Statements:
H314-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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