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Home Carboxys 1-Fluorocyclohexanecarboxylic acid

1-Fluorocyclohexanecarboxylic acid

CAS No.:
117169-31-0
Catalog Number:
AG000DU9
Molecular Formula:
C7H11FO2
Molecular Weight:
146.1594
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
1 week
United States
$298
- +
Product Description
Catalog Number:
AG000DU9
Chemical Name:
1-Fluorocyclohexanecarboxylic acid
CAS Number:
117169-31-0
Molecular Formula:
C7H11FO2
Molecular Weight:
146.1594
MDL Number:
MFCD28099580
IUPAC Name:
1-fluorocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H11FO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10)
InChI Key:
KPHYQWGKSTZREA-UHFFFAOYSA-N
SMILES:
OC(=O)C1(F)CCCCC1
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.074g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.161g/mol
Monoisotopic Mass:
146.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Liquid chromatography-tandem mass spectrometry identification of metabolites of three phenylcarboxyl derivatives of the 5-HT(1A) antagonist, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-(2-pyridyl) trans-4-fluorocyclohexanecarboxamide (FCWAY), produced by human and rat hepatocytes. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20021115
Properties