Molecule ID: 65116

IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) acetate

Description: The molecule is an acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of 5-bromo-4-chloroindoxyl. It has a role as a chromogenic compound. It is a bromoindole, a chloroindole and an acetate ester. It derives from an indoxyl.

SMILES: CC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][O][Ring1][Branch2]

InChI: InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3

Molecular Properties:
- Polar Surface Area: 42.1 Ų
- LogP: 3.1