(5-bromanyl-4-chloranyl-1H-indol-3-yl)phosphonic acid; 4-methylaniline

Systemtic Name: (5-bromanyl-4-chloranyl-1H-indol-3-yl)phosphonic acid; 4-methylaniline Openeye Name: (5-bromo-4-chloro-1H-indol-3-yl)phosphonic acid; 4-methylaniline CAS Name: (5-bromo-4-chloro-1H-indol-3-yl)phosphonic acid; 4-methylaniline IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl)phosphonic acid; 4-methylaniline Traditional Name: (5-bromo-4-chloro-1H-indol-3-yl)phosphonic acid; p-toluidine Formula: C15H15BrClN2O3P MolecularWeight: 417.621961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N.C1=CC(=C(C2=C1NC=C2P(=O)(O)O)Cl)Br

Isomeric SMILES

CC1=CC=C(C=C1)N.C1=CC(=C(C2=C1NC=C2P(=O)(O)O)Cl)Br

InChI

InChI=1S/C8H6BrClNO3P.C7H9N/c9-4-1-2-5-7(8(4)10)6(3-11-5)15(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3