Name: Isoxazole, 4-bromo-5-methyl- (6CI,7CI,8CI,9CI)
SKU: 7064-37-1

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Basic Information

Molecular Structure:
CAS No.:	7064-37-1
Name:	Isoxazole, 4-bromo-5-methyl- (6CI,7CI,8CI,9CI)

Formula:	C₄H₄BrNO
Molecular Weight:	161.986
Synonyms:	4-Bromo-5-methylisoxazole;
Density:	1.654 g/cm³
Boiling Point:	200.315 °C at 760 mmHg
Flash Point:	74.948 °C
PSA:	26.03000
LogP:	1.74550

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Specification

The Isoxazole, 4-bromo-5-methyl-, with the CAS registry number of 7064-37-1, is also known as 4-Bromo-5-methylisoxazole. It belongs to the product category of Oxazole. This chemical's molecular formula is C₄H₄BrNO and molecular weight is 161.986. What's more, its systematic name is called 4-Bromo-5-methyl-1, 2-oxazole.

Physical properties about Isoxazole, 4-bromo-5-methyl- are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 123; (8)ACD/KOC (pH 7.4): 123; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 29.159 cm³; (15)Molar Volume: 97.912 cm³; (16)Surface Tension: 38.278 dyne/cm; (17)Density: 1.654 g/cm³; (18)Flash Point: 74.948 °C; (19)Enthalpy of Vaporization: 41.868 kJ/mol; (20)Boiling Point: 200.315 °C at 760 mmHg; (21)Vapour Pressure: 0.462 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1oncc1Br
(2) InChI: InChI=1/C4H4BrNO/c1-3-4(5)2-6-7-3/h2H,1H3
(3) InChIKey: SBDZMDRGAWHCNX-UHFFFAOYAX