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2267-94-9 | N-Cyclohexyl 3-fluorobenzamide
CAS No: 2267-94-9 Catalog No: AG003SWT MDL No:MFCD00454568
Product Description
Catalog Number:
AG003SWT
Chemical Name:
N-Cyclohexyl 3-fluorobenzamide
CAS Number:
2267-94-9
Molecular Formula:
C13H16FNO
Molecular Weight:
221.2706
MDL Number:
MFCD00454568
IUPAC Name:
N-cyclohexyl-3-fluorobenzamide
InChI:
InChI=1S/C13H16FNO/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
InChI Key:
NXPPOGYXWKNMKS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(=O)NC1CCCCC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.275g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| N-Cyclo-hexyl-3-fluoro-benzamide. | Acta crystallographica. Section E, Structure reports online 20081101 |
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