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ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

CAS: 800401-67-6

Formula: C10H9ClN2O2

SMILES: CCOC(=O)C1=CC2=CC(Cl)=NC=C2N1

IUPAC: ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

InChI: InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-3-6-4-9(11)12-5-8(6)13-7/h3-5,13H,2H2,1H3

Composition: C (53.47%), H (4.04%), Cl (15.78%), N (12.47%), O (14.24%)

Molar Mass: 224.64

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.0352552
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZQKMNQPQMGJIHD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.51
Topological Polar Surface Area 54.98
Polarizability 22.85
Ring Count 2
Rotatable Bond Count 3

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97% <5 Days 800401-67-6 $78.18-$1,972.20$78.18$102.14$397.22$1,972.20
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97% <2 Days 800401-67-6 $224.25-$1,058.00$224.25$316.25$1,058.00
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96% <2 Days 800401-67-6 $112.70-$1,147.70$112.70$143.75$171.35$227.70$342.70$1,147.70
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