Home Carboxys 1-[(3-fluorophenyl)methyl]cyclohexane-1-carboxylic acid

1-[(3-fluorophenyl)methyl]cyclohexane-1-carboxylic acid

CAS No.:
1490700-62-3
Catalog Number:
AG01BBFE
Molecular Formula:
C14H17FO2
Molecular Weight:
236.2820
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Product Description
Catalog Number:
AG01BBFE
Chemical Name:
1-[(3-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CAS Number:
1490700-62-3
Molecular Formula:
C14H17FO2
Molecular Weight:
236.2820
MDL Number:
MFCD17525738
IUPAC Name:
1-[(3-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H17FO2/c15-12-6-4-5-11(9-12)10-14(13(16)17)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,16,17)
InChI Key:
NZDOIQMRLOIYOY-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CC1(CCCCC1)C(=O)O
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.286g/mol
Monoisotopic Mass:
236.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties