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5-chloranyl-2,3-dihydro-1H-indole-2-carboxylic acid hydrate hydrochloride

5-chloranyl-2,3-dihydro-1H-indole-2-carboxylic acid hydrate hydrochloride

Systemtic Name:5-chloranyl-2,3-dihydro-1H-indole-2-carboxylic acid hydrate hydrochloride
Openeye Name:5-chloroindoline-2-carboxylic acid hydrate hydrochloride
CAS Name:5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid hydrate hydrochloride
IUPAC Name:5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid hydrate hydrochloride
Traditional Name:5-chloroindoline-2-carboxylic acid hydrate hydrochloride
Formula: C9H11Cl2NO3
MolecularWeight: 252.09454
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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C1C=C(C=C2)Cl)C(=O)O.O.Cl


Isomeric SMILES

C1C(NC2=C1C=C(C=C2)Cl)C(=O)O.O.Cl


InChI

InChI=1S/C9H8ClNO2.ClH.H2O/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13;;/h1-3,8,11H,4H2,(H,12,13);1H;1H2


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