Home Carboxys 1-(3-Fluorophenyl)cyclohexanecarboxylic acid

1-(3-Fluorophenyl)cyclohexanecarboxylic acid

CAS No.:
214262-98-3
Catalog Number:
AG0072DW
Molecular Formula:
C13H15FO2
Molecular Weight:
222.2554
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Product Description
Catalog Number:
AG0072DW
Chemical Name:
1-(3-Fluorophenyl)cyclohexanecarboxylic acid
CAS Number:
214262-98-3
Molecular Formula:
C13H15FO2
Molecular Weight:
222.2554
MDL Number:
MFCD00800625
IUPAC Name:
1-(3-fluorophenyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H15FO2/c14-11-6-4-5-10(9-11)13(12(15)16)7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,15,16)
InChI Key:
RIQOIHJORXEGFT-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C1(CCCCC1)C(=O)O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.259g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties