CAS No.1065073-35-9,2-Bromomethyl-oxazole Suppliers

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Molecular Structure:
CAS No.:	1065073-35-9
Name:	2-Bromomethyl-oxazole
Article Data:	3

Formula:	C₄H₄BrNO
Molecular Weight:	161.986
Synonyms:	2-Bromomethyl-oxazole;
Density:	1.706 g/cm³
Boiling Point:	162.2 °C at 760 mmHg
Flash Point:	51.9 °C
PSA:	26.03000
LogP:	1.56950

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Specification

The 2-Bromomethyloxazole, with the CAS registry number 1065073-35-9, is also known as 2-Bromomethyl-oxazole. This chemical's molecular formula is C₄H₄BrNO and molecular weight is 161.98466. What's more, its IUPAC name is 2-(Bromomethyl)-1, 3-oxazole.

Physical properties about 2-Bromomethyloxazole are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.69; (6)ACD/BCF (pH 7.4): 2.69; (7)ACD/KOC (pH 5.5): 70.67; (8)ACD/KOC (pH 7.4): 70.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 29.29 cm³; (15)Molar Volume: 94.9 cm³; (16)Polarizability: 11.61×10^-24 cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.706 g/cm³; (19)Flash Point: 51.9 °C; (20)Enthalpy of Vaporization: 38.24 kJ/mol; (21)Boiling Point: 162.2 °C at 760 mmHg; (22)Vapour Pressure: 2.86 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ncco1
(2) InChI: InChI=1/C4H4BrNO/c5-3-4-6-1-2-7-4/h1-2H,3H2
(3) InChIKey: GXUWICFDIIONCH-UHFFFAOYAU