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18283-04-0 | Butanoic acid, 2-(ethoxyiminomethyl)-2-fluoro-3-methyl-, ethyl ester
CAS No: 18283-04-0 Catalog No: AG002463 MDL No:
Product Description
Catalog Number:
AG002463
Chemical Name:
Butanoic acid, 2-(ethoxyiminomethyl)-2-fluoro-3-methyl-, ethyl ester
CAS Number:
18283-04-0
Molecular Formula:
C10H18FNO3
Molecular Weight:
219.2532
IUPAC Name:
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate
InChI:
InChI=1S/C10H18FNO3/c1-5-14-8(12)10(11,7(3)4)9(13)15-6-2/h7,12H,5-6H2,1-4H3
InChI Key:
QNODYTBORJKIFK-UHFFFAOYSA-N
SMILES:
CCON=CC(C(=O)OCC)(C(C)C)F
NSC Number:
81840
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.256g/mol
Monoisotopic Mass:
219.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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