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3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

Formula: C8H5ClN2O2

SMILES: OC(=O)C1=CC=C2C(Cl)=CNC2=N1

IUPAC: 3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

InChI: InChI=1S/C8H5ClN2O2/c9-5-3-10-7-4(5)1-2-6(11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)

Composition: C (48.88%), H (2.56%), Cl (18.03%), N (14.25%), O (16.28%)

Molar Mass: 196.59

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.0039551
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WBUIXFVZORUSNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.63
Topological Polar Surface Area 65.98
Polarizability 18.27
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C8H5ClN2O2 $848.05-$1,625.03$848.05$1,159.40$1,625.03
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98% <10 Days C8H5ClN2O2 Quote Only
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