Carbendazim | SBID = 906 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C9H9N3O2
M / g/mol: 191.18666
Complexity:
Number of Conformers:

Identifiers

  • Tags: fungicide, typical guest
  • Name: Carbendazim
  • Preferred Abbreviation: Carbendazim
  • IUPAC Name:
  • CAS:
  • CID: -299
  • InChiKey: TWFZGCMQGLPBSX-UHFFFAOYSA-N
  • InChi: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
  • CanoSmiles: COC(NC1=NC2=CC=CC=C2N1)=O
  • IsoSmiles: COC(NC1=NC2=CC=CC=C2N1)=O