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Molecule record

INDIGO

C16H10N2O2

262.26 g/mol

2D structure for INDIGO

Molecular properties

Formula
C16H10N2O2
Molar mass
262.26 g·mol−1
Exact mass
262.0742 Da
13
2
3
65.50 Ų
2.7 (PubChem computed XLogP3-AA descriptor)
CAS
482-89-3
PubChem CID
10215

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Aromatic ring
Phenol

Physical properties

PropertyValueConditionsSource
Logp2.7PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 482-89-3
  • Cystoceva
  • Diindogen
  • Indigo (synthetic)
  • Indigo Blue
  • Indigo Ciba
  • Indigo Ciba SL
  • Indigo J
Show all 21 synonyms
  • Indigo N
  • Indigo NAC
  • Indigo P
  • Indigo PLN
  • Indigo Powder W
  • Indigo Pure BASF
  • Indigo VS
  • Indigotin
  • Synthetic Indigo
  • Vat blue 1
  • Vulcafix Blue R
  • Vulcafor Blue A
  • Vynamon Blue A

Structure identifiers

Canonical SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
Isomeric SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H
InChIKey
QQILFGKZUJYXGS-UHFFFAOYSA-N
PubChem CID
10215

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for INDIGO; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for INDIGO; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record