2,4,5-trichlorophenyl N,N-dimethylcarbamate

• ChemBase ID: 108419
• Molecular Formular: C9H8Cl3NO2
• Molecular Mass: 268.52432
• Monoisotopic Mass: 266.96206154
• SMILES: CN(C)C(=O)Oc1cc(Cl)c(Cl)cc1Cl
• Canonical SMILES: CN(C(=O)Oc1cc(Cl)c(cc1Cl)Cl)C
• InChI: InChI=1S/C9H8Cl3NO2/c1-13(2)9(14)15-8-4-6(11)5(10)3-7(8)12/h3-4H,1-2H3
• InChIKey: VCSDFCWFZZFAEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-trichlorophenyl N,N-dimethylcarbamate
• IUPAC Traditional name: 2,4,5-trichlorophenyl N,N-dimethylcarbamate
• Synonyms: N,N-DIMETHYL-2,4,5-TRICHLOROPHENYL CARBAMATE

Database IDs

• PubChem SID: 162106200
• PubChem CID: 226042

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5064473
• LogD (pH = 7.4): 3.5064473
• Log P: 3.5064473
• Molar Refractivity: 60.0749 cm^3
• Polarizability: 23.575642 Å^3
• Polar Surface Area: 29.54 Å^2

DETAILS

MP Biomedicals - 05207294

MP Biomedicals Rare Chemical collection