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1,3-diethyl 2-{[(4-chlorophenyl)imino]methyl}propanedioate

1,3-diethyl 2-{[(4-chlorophenyl)imino]methyl}propanedioate

Formula: C14H16ClNO4

SMILES: CCOC(=O)C(C=NC1=CC=C(Cl)C=C1)C(=O)OCC

IUPAC: 1,3-diethyl 2-{[(4-chlorophenyl)imino]methyl}propanedioate

InChI: InChI=1S/C14H16ClNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-10(15)6-8-11/h5-9,12H,3-4H2,1-2H3

Composition: C (56.48%), H (5.42%), Cl (11.91%), N (4.70%), O (21.49%)

Molar Mass: 297.74

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 297.0767857
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FMEUEBPGQJXWDA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.94
Topological Polar Surface Area 64.96
Polarizability 29.23
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H16ClNO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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