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14122-31-7 | Butanoic acid, 2-(ethoxyiminomethyl)-2-fluoro-, ethyl ester
CAS No: 14122-31-7 Catalog No: AG001G32 MDL No:
Product Description
Catalog Number:
AG001G32
Chemical Name:
Butanoic acid, 2-(ethoxyiminomethyl)-2-fluoro-, ethyl ester
CAS Number:
14122-31-7
Molecular Formula:
C9H16FNO3
Molecular Weight:
205.2266
IUPAC Name:
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate
InChI:
InChI=1S/C9H16FNO3/c1-4-9(10,7(11)13-5-2)8(12)14-6-3/h11H,4-6H2,1-3H3
InChI Key:
JUTCJGATDAGRNG-UHFFFAOYSA-N
SMILES:
CCON=CC(C(=O)OCC)(CC)F
NSC Number:
81838
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.229g/mol
Monoisotopic Mass:
205.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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