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ethyl 5-formyl-4-nitro-1H-pyrrole-2-carboxylate

ethyl 5-formyl-4-nitro-1H-pyrrole-2-carboxylate

CAS: 36131-47-2

Formula: C8H8N2O5

SMILES: CCOC(=O)C1=CC(=C(N1)C=O)[N+]([O-])=O

IUPAC: ethyl 5-formyl-4-nitro-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C8H8N2O5/c1-2-15-8(12)5-3-7(10(13)14)6(4-11)9-5/h3-4,9H,2H2,1H3

Composition: C (45.29%), H (3.80%), N (13.20%), O (37.70%)

Molar Mass: 212.161

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.043321366
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OVEMXJXDWGFRTN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.25
Topological Polar Surface Area 102.3
Polarizability 18.31
Ring Count 1
Rotatable Bond Count 5

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 36131-47-2 $464.31-$1,342.68$464.31$464.31$714.50$714.50$1,342.68$1,342.68
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LabNetwork INC
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95% 1 Day 36131-47-2 $461.70$461.70
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