2,4-dichlorophenyl N,N-dimethylcarbamate

• ChemBase ID: 109980
• Molecular Formular: C9H9Cl2NO2
• Molecular Mass: 234.07926
• Monoisotopic Mass: 233.00103389
• SMILES: CN(C)C(=O)Oc1ccc(Cl)cc1Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)OC(=O)N(C)C
• InChI: InChI=1S/C9H9Cl2NO2/c1-12(2)9(13)14-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
• InChIKey: ZYYOAHAWVWGMJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichlorophenyl N,N-dimethylcarbamate
• IUPAC Traditional name: 2,4-dichlorophenyl N,N-dimethylcarbamate
• Synonyms: N,N-DIMETHYL-2,4-DICHLOROPHENYL CARBAMATE

Database IDs

• CAS Number: 6639-32-3
• PubChem SID: 162095696
• PubChem CID: 226043

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9024026
• LogD (pH = 7.4): 2.9024026
• Log P: 2.9024026
• Molar Refractivity: 55.2701 cm^3
• Polarizability: 21.589266 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213273

MP Biomedicals Rare Chemical collection