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18283-07-3 | Pentanoic acid, 2-(ethoxyiminomethyl)-2-fluoro-3-methyl-, ethyl ester
CAS No: 18283-07-3 Catalog No: AG002460 MDL No:
Product Description
Catalog Number:
AG002460
Chemical Name:
Pentanoic acid, 2-(ethoxyiminomethyl)-2-fluoro-3-methyl-, ethyl ester
CAS Number:
18283-07-3
Molecular Formula:
C11H20FNO3
Molecular Weight:
233.2798
IUPAC Name:
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylpentanoate
InChI:
InChI=1S/C11H20FNO3/c1-5-8(4)11(12,9(13)15-6-2)10(14)16-7-3/h8,13H,5-7H2,1-4H3
InChI Key:
IMLWLQBDQNEKQX-UHFFFAOYSA-N
SMILES:
CCON=CC(C(=O)OCC)(C(CC)C)F
NSC Number:
81842
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.283g/mol
Monoisotopic Mass:
233.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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