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951888-13-4 | Ethyl 2-cyano-3-fluorobenzoylformate
CAS No: 951888-13-4 Catalog No: AG01FDOC MDL No:
Product Description
Catalog Number:
AG01FDOC
Chemical Name:
Ethyl 2-cyano-3-fluorobenzoylformate
CAS Number:
951888-13-4
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
IUPAC Name:
ethyl 2-(2-cyano-3-fluorophenyl)-2-oxoacetate
InChI:
InChI=1S/C11H8FNO3/c1-2-16-11(15)10(14)7-4-3-5-9(12)8(7)6-13/h3-5H,2H2,1H3
InChI Key:
OTFUAMDMVMUFAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cccc(c1C#N)F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.187g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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