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4-azanyl-7-chloranyl-6-fluoranyl-cinnoline-3-carboxylic acid hydrate

4-azanyl-7-chloranyl-6-fluoranyl-cinnoline-3-carboxylic acid hydrate

Systemtic Name:4-azanyl-7-chloranyl-6-fluoranyl-cinnoline-3-carboxylic acid hydrate
Openeye Name:4-amino-7-chloro-6-fluoro-cinnoline-3-carboxylic acid hydrate
CAS Name:4-amino-7-chloro-6-fluoro-3-cinnolinecarboxylic acid hydrate
IUPAC Name:4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid hydrate
Traditional Name:4-amino-7-chloro-6-fluoro-cinnoline-3-carboxylic acid hydrate
Formula: C9H7ClFN3O3
MolecularWeight: 259.621583
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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1F)Cl)N=NC(=C2N)C(=O)O.O


Isomeric SMILES

C1=C2C(=CC(=C1F)Cl)N=NC(=C2N)C(=O)O.O


InChI

InChI=1S/C9H5ClFN3O2.H2O/c10-4-2-6-3(1-5(4)11)7(12)8(9(15)16)14-13-6;/h1-2H,(H2,12,13)(H,15,16);1H2


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