Home Other Building Blocks 2-[(2-Fluoro-phenylaMino)-Methylene]-Malonic acid diethyl ester

2-[(2-Fluoro-phenylaMino)-Methylene]-Malonic acid diethyl ester

CAS No.:
63010-68-4
Catalog Number:
AG00EF5V
Molecular Formula:
C14H16FNO4
Molecular Weight:
281.2795
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Product Description
Catalog Number:
AG00EF5V
Chemical Name:
2-[(2-Fluoro-phenylaMino)-Methylene]-Malonic acid diethyl ester
CAS Number:
63010-68-4
Molecular Formula:
C14H16FNO4
Molecular Weight:
281.2795
MDL Number:
MFCD00017907
IUPAC Name:
diethyl 2-[(2-fluoroanilino)methylidene]propanedioate
InChI:
InChI=1S/C14H16FNO4/c1-3-19-13(17)10(14(18)20-4-2)9-16-12-8-6-5-7-11(12)15/h5-9,16H,3-4H2,1-2H3
InChI Key:
MSFAOJKKCLDGQX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccccc1F)C(=O)OCC
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.106g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.283g/mol
Monoisotopic Mass:
281.106g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties