Home Halogens diethyl 2-(((2-chloropyridin-3-yl)amino)methylene)malonate

diethyl 2-(((2-chloropyridin-3-yl)amino)methylene)malonate

CAS No.:
103975-94-6
Catalog Number:
AG01DJD2
Molecular Formula:
C13H15ClN2O4
Molecular Weight:
298.7222
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Product Description
Catalog Number:
AG01DJD2
Chemical Name:
diethyl 2-(((2-chloropyridin-3-yl)amino)methylene)malonate
CAS Number:
103975-94-6
Molecular Formula:
C13H15ClN2O4
Molecular Weight:
298.7222
MDL Number:
MFCD00180269
IUPAC Name:
diethyl 2-[[(2-chloropyridin-3-yl)amino]methylidene]propanedioate
InChI:
InChI=1S/C13H15ClN2O4/c1-3-19-12(17)9(13(18)20-4-2)8-16-10-6-5-7-15-11(10)14/h5-8,16H,3-4H2,1-2H3
InChI Key:
AFATXLBIJNVEHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1cccnc1Cl)C(=O)OCC
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.072g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.723g/mol
Monoisotopic Mass:
298.072g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties