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methyl 5-[(E)-[(4-chlorophenyl)imino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[(E)-[(4-chlorophenyl)imino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Formula: C15H15ClN2O2

SMILES: COC(=O)C1=C(C)NC(C=NC2=CC=C(Cl)C=C2)=C1C

IUPAC: methyl 5-[(E)-[(4-chlorophenyl)imino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

InChI: InChI=1S/C15H15ClN2O2/c1-9-13(18-10(2)14(9)15(19)20-3)8-17-12-6-4-11(16)5-7-12/h4-8,18H,1-3H3/b17-8+

Composition: C (61.97%), H (5.20%), Cl (12.19%), N (9.64%), O (11.01%)

Molar Mass: 290.75

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.0822054
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LBTHGODCSOKUNO-CAOOACKPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.04
Topological Polar Surface Area 54.45
Polarizability 30
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H15ClN2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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