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methyl 4-iodo-1H-pyrrole-2-carboxylate

methyl 4-iodo-1H-pyrrole-2-carboxylate

CAS: 40740-41-8

Formula: C6H6INO2

SMILES: COC(=O)C1=CC(I)=CN1

IUPAC: methyl 4-iodo-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C6H6INO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3

Composition: C (28.71%), H (2.41%), I (50.55%), N (5.58%), O (12.75%)

Molar Mass: 251.023

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.94432
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KRNGDJYQOKCQCD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.08
Topological Polar Surface Area 42.09
Polarizability 17.86
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 40740-41-8 $14.49-$546.48$14.49$16.56$22.77$51.75$87.98$172.85$546.48
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95% <2 Days 40740-41-8 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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95% <5 Days 40740-41-8 $23.96-$611.59$23.96$50.44$176.54$611.59
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