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4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxylic acid

4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxylic acid

CAS: 886361-05-3

Formula: C12H7Cl2NO3

SMILES: OC(=O)C1=CC(=CN1)C(=O)C1=C(Cl)C=C(Cl)C=C1

IUPAC: 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxylic acid

InChI: InChI=1S/C12H7Cl2NO3/c13-7-1-2-8(9(14)4-7)11(16)6-3-10(12(17)18)15-5-6/h1-5,15H,(H,17,18)

Composition: C (50.73%), H (2.48%), Cl (24.96%), N (4.93%), O (16.89%)

Molar Mass: 284.09

Atom Count: 25

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 282.9802985
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UKGSCFPMDBMXQI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.14
Topological Polar Surface Area 70.16
Polarizability 25.9
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 886361-05-3 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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