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4-chloro-3-nitro-1H-pyrrolo[2,3-b]pyridine

4-chloro-3-nitro-1H-pyrrolo[2,3-b]pyridine

CAS: 918519-53-6

Formula: C7H4ClN3O2

SMILES: [O-][N+](=O)C1=CNC2=NC=CC(Cl)=C12

IUPAC: 4-chloro-3-nitro-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C7H4ClN3O2/c8-4-1-2-9-7-6(4)5(3-10-7)11(12)13/h1-3H,(H,9,10)

Composition: C (42.55%), H (2.04%), Cl (17.94%), N (21.27%), O (16.20%)

Molar Mass: 197.58

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.9992041
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KCCXAUDAHDKANR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.07
Topological Polar Surface Area 71.82
Polarizability 17.83
Ring Count 2
Rotatable Bond Count 1

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97% <2 Days 918519-53-6 $51.35-$362.71$51.35$63.37$86.31$362.71
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