N-[(1E)-6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydroxylamine

• ChemBase ID: 801372
• Molecular Formular: C10H9Cl2NO
• Molecular Mass: 230.09056
• Monoisotopic Mass: 229.00611927
• SMILES: c1(cc2c(cc1Cl)CCC/C/2=N\O)Cl
• Canonical SMILES: O/N=C/1\CCCc2c1cc(Cl)c(c2)Cl
• InChI: InChI=1S/C10H9Cl2NO/c11-8-4-6-2-1-3-10(13-14)7(6)5-9(8)12/h4-5,14H,1-3H2/b13-10+
• InChIKey: JYQMOZYCQZDWRU-JLHYYAGUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1E)-6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1E)-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
• Synonyms: (1E)-6,7-DICHLORO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE OXIME

CALCULATED PROPERTIES

• Acid pKa: 8.01687
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4973679
• LogD (pH = 7.4): 3.4051464
• Log P: 3.4986937
• Molar Refractivity: 57.758 cm^3
• Polarizability: 22.104263 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%