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821801-04-1 | Dodecanamide, 2,2-difluoro-3-oxo-N-[(1S)-2-oxocyclopentyl]-
CAS No: 821801-04-1 Catalog No: AG005HWU MDL No:
Product Description
Catalog Number:
AG005HWU
Chemical Name:
Dodecanamide, 2,2-difluoro-3-oxo-N-[(1S)-2-oxocyclopentyl]-
CAS Number:
821801-04-1
Molecular Formula:
C17H27F2NO3
Molecular Weight:
331.3980
IUPAC Name:
2,2-difluoro-3-oxo-N-[(1S)-2-oxocyclopentyl]dodecanamide
InChI:
InChI=1S/C17H27F2NO3/c1-2-3-4-5-6-7-8-12-15(22)17(18,19)16(23)20-13-10-9-11-14(13)21/h13H,2-12H2,1H3,(H,20,23)/t13-/m0/s1
InChI Key:
MCVFYOWSOYAGBY-ZDUSSCGKSA-N
SMILES:
CCCCCCCCCC(=O)C(C(=O)N[C@H]1CCCC1=O)(F)F
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
331.196g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.404g/mol
Monoisotopic Mass:
331.196g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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