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methyl 4-(2,6-dichlorobenzoyl)-1H-pyrrole-2-carboxylate

methyl 4-(2,6-dichlorobenzoyl)-1H-pyrrole-2-carboxylate

CAS: 338753-18-7

Formula: C13H9Cl2NO3

SMILES: COC(=O)C1=CC(=CN1)C(=O)C1=C(Cl)C=CC=C1Cl

IUPAC: methyl 4-(2,6-dichlorobenzoyl)-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C13H9Cl2NO3/c1-19-13(18)10-5-7(6-16-10)12(17)11-8(14)3-2-4-9(11)15/h2-6,16H,1H3

Composition: C (52.38%), H (3.04%), Cl (23.78%), N (4.70%), O (16.10%)

Molar Mass: 298.12

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.9959486
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QMAZCLVVMADIGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.9
Topological Polar Surface Area 59.16
Polarizability 27.97
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338753-18-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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