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1199773-10-8 | Propanedioic acid, 2-[[(2-amino-4-chlorophenyl)amino]methylene]-, 1,3-diethyl ester
CAS No: 1199773-10-8 Catalog No: AG000PWI MDL No:MFCD13195638
Product Description
Catalog Number:
AG000PWI
Chemical Name:
Propanedioic acid, 2-[[(2-amino-4-chlorophenyl)amino]methylene]-, 1,3-diethyl ester
CAS Number:
1199773-10-8
Molecular Formula:
C14H17ClN2O4
Molecular Weight:
312.7488
MDL Number:
MFCD13195638
IUPAC Name:
diethyl 2-[(2-amino-4-chloroanilino)methylidene]propanedioate
InChI:
InChI=1S/C14H17ClN2O4/c1-3-20-13(18)10(14(19)21-4-2)8-17-12-6-5-9(15)7-11(12)16/h5-8,17H,3-4,16H2,1-2H3
InChI Key:
ONHHJGPYSIGPRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccc(cc1N)Cl)C(=O)OCC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.75g/mol
Monoisotopic Mass:
312.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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