chempirical

4-Chloroindole-3-acetic acid

C10H8ClNO2CAS 2519-61-1209.63 g/mol

Open in Covalent MOL file
OHONHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H8ClNO2
Molar mass
209.63 g/mol
Exact mass
209.0244 Da
Melting point
184–187 °C (decomposes)
logP
2.45Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
2519-61-1
SMILES
O=C(O)Cc1c[nH]c2cccc(Cl)c12
InChIKey
WNCFBCKZRJDRKZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Indole-3-acetic acid, 4-chloro-
  • Indole-3-acetic acid, 4-chloro-
  • 4-Chloro-1H-indole-3-acetic acid
  • 4-Chloroindolyl-3-acetic acid
  • 4-Chloro-IAA
  • 4-Chloroindoleacetic acid
  • NSC 295294
  • 2-(4-Chloro-1H-indol-3-yl)acetic acid

Work with 4-Chloroindole-3-acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Indole-3-acetic acid87-51-462 % similar (2-Chlorophenyl)acetic acid2444-36-259 % similar 2,3-Dichlorophenylacetic acid10236-60-956 % similar 2,6-Dichlorophenylacetic acid6575-24-254 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-354 % similar 5-Hydroxyindoleacetic acid1321-73-952 % similar 5-Hydroxyindoleacetic acid54-16-052 % similar 2,4-Dichlorophenylacetic acid19719-28-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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