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19056-78-1 | Propanedioic acid, 2-[[(2-chlorophenyl)amino]methylene]-, 1,3-diethyl ester
CAS No: 19056-78-1 Catalog No: AG002EN8 MDL No:MFCD00173341
Product Description
Catalog Number:
AG002EN8
Chemical Name:
Propanedioic acid, 2-[[(2-chlorophenyl)amino]methylene]-, 1,3-diethyl ester
CAS Number:
19056-78-1
Molecular Formula:
C14H16ClNO4
Molecular Weight:
297.7341
MDL Number:
MFCD00173341
IUPAC Name:
diethyl 2-[(2-chloroanilino)methylidene]propanedioate
InChI:
InChI=1S/C14H16ClNO4/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:
SVYBJRGUNJJBAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccccc1Cl)C(=O)OCC
NSC Number:
79887
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.735g/mol
Monoisotopic Mass:
297.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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