1-butyl-3-carboxymethylbenzotriazole | SBID = 2723 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 59.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 3.59
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H16N3O2+
M / g/mol: 234.27434
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 1-butyl-3-carboxymethylbenzotriazole
  • Preferred Abbreviation: Lc4
  • IUPAC Name:
  • CAS:
  • CID: -1212
  • InChiKey: IUHBZZPMBUSTNC-UHFFFAOYSA-N
  • InChi: InChI=1S/C13H16N2O2.ClH/c1-2-3-8-14-10-15(9-13(16)17)12-7-5-4-6-11(12)14;/h4-7,10H,2-3,8-9H2,1H3;1H
  • CanoSmiles: CCCCN1C=[N+](CC(O)=O)C2=CC=CC=C21.[Cl-]
  • IsoSmiles: CCCCN1C=[N+](CC(O)=O)C2=CC=CC=C21.[Cl-]