1-octyl-3-carboxymethylbenzotriazole | SBID = 2722 | 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): 5.75
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: C16H24N3O2+
M / g/mol: 290.38066
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 1-octyl-3-carboxymethylbenzotriazole
  • Preferred Abbreviation: Lc8
  • IUPAC Name:
  • CAS:
  • CID: -1211
  • InChiKey: QDTXSTVQJTUXNP-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H23N3O2.ClH/c1-2-3-4-5-6-9-12-18-14-10-7-8-11-15(14)19(17-18)13-16(20)21;/h7-8,10-11H,2-6,9,12-13H2,1H3;1H
  • CanoSmiles: O=C(O)C[N+]1=NN(C2=CC=CC=C12)CCCCCCCC.[Cl-]
  • IsoSmiles: O=C(O)C[N+]1=NN(C2=CC=CC=C12)CCCCCCCC.[Cl-]