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Acetamide,N-(4-bromo-1-naphthalenyl)-

  • Name Acetamide,N-(4-bromo-1-naphthalenyl)-
  • EINECSN/A
  • CAS No. 91394-66-0
  • Density1.528 g/cm3
  • PSA29.10000
  • LogP3.63370
  • SolubilityN/A
  • Melting Point160-163°C
  • FormulaC12H10BrNO
  • Boiling Point454.3 °C at 760 mmHg
  • Molecular Weight264.121
  • Flash Point228.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 91394-66-0 (1-ACETAMIDO-4-BROMONAPHTHALENE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data15

Acetamide,N-(4-bromo-1-naphthalenyl)- Specification

The Acetamide,N-(4-bromo-1-naphthalenyl)-, with CAS registry number 91394-66-0, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Bromides; (4)Naphthalene derivatives. Its systematic name and its IUPAC name are the same, which is N-(4-bromonaphthalen-1-yl)acetamide.

Physical properties of Acetamide,N-(4-bromo-1-naphthalenyl)-: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 279.08; (6)ACD/BCF (pH 7.4): 279.08; (7)ACD/KOC (pH 5.5): 1960.01; (8)ACD/KOC (pH 7.4): 1960.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 66.05 cm3; (15)Molar Volume: 172.8 cm3; (16)Polarizability: 26.18×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Enthalpy of Vaporization: 71.39 kJ/mol; (19)Vapour Pressure: 1.92E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2c1ccccc1c(Br)cc2)C
(2)InChI: InChI=1/C12H10BrNO/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,1H3,(H,14,15)
(3)InChIKey: KAVKNHPXAMTURG-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H10BrNO/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,1H3,(H,14,15)
(5)Std. InChIKey: KAVKNHPXAMTURG-UHFFFAOYSA-N

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