1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylic acid


Chemical Name: 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylic acid
CAS Number: 887978-75-8
Product Number: AG003CYI(AGN-PC-02Z7KP)
Synonyms:
MDL No: MFCD06410579
Molecular Formula: C13H13BrO3
Molecular Weight: 297.1445

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
297.148g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
296.005g/mol
Monoisotopic Mass:
296.005g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
309
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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