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methyl 4-({[1-(4-chlorophenyl)-2-oxopyrrolidin-3-ylidene]methyl}amino)benzoate

methyl 4-({[1-(4-chlorophenyl)-2-oxopyrrolidin-3-ylidene]methyl}amino)benzoate

CAS: 339020-60-9

Formula: C19H17ClN2O3

SMILES: COC(=O)C1=CC=C(NC=C2CCN(C2=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: methyl 4-({[1-(4-chlorophenyl)-2-oxopyrrolidin-3-ylidene]methyl}amino)benzoate

InChI: InChI=1S/C19H17ClN2O3/c1-25-19(24)13-2-6-16(7-3-13)21-12-14-10-11-22(18(14)23)17-8-4-15(20)5-9-17/h2-9,12,21H,10-11H2,1H3

Composition: C (63.96%), H (4.80%), Cl (9.94%), N (7.85%), O (13.45%)

Molar Mass: 356.81

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 356.0927701
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KTAYZHKUOXXKTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.11
Topological Polar Surface Area 58.64
Polarizability 36.79
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339020-60-9 $51.35-$86.31$51.35$63.37$86.31
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