CAS No.91394-66-0,1-ACETAMIDO-4-BROMONAPHTHALENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	91394-66-0
Name:	1-ACETAMIDO-4-BROMONAPHTHALENE
Article Data:	15

Formula:	C₁₂H₁₀BrNO
Molecular Weight:	264.121
Synonyms:	Acetamide,N-(4-bromo-1-naphthyl)- (6CI,7CI);4-Bromo-1-acetamidonaphthalene;N-(4-Bromo-1-naphthyl)acetamide;NSC 38943;
Density:	1.528 g/cm³
Melting Point:	160-163°C
Boiling Point:	454.3 °C at 760 mmHg
Flash Point:	228.6 °C
Hazard Symbols:	Xi
PSA:	29.10000
LogP:	3.63370

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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