Name: 5-BROMO-BENZOOXAZOLE
SKU: 132244-31-6

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Basic Information

Molecular Structure:
CAS No.:	132244-31-6
Name:	5-BROMO-BENZOOXAZOLE
Article Data:	16

Formula:	C₇H₄BrNO
Molecular Weight:	198.019
Synonyms:	5-Bromobenzo[d]oxazole;5-Bromobenzoxazole;
Density:	1.711g/cm³
Melting Point:	38-40°C
Boiling Point:	251.169 °C at 760 mmHg
Flash Point:	105.704 °C
Hazard Symbols:	Xn
Risk Codes:	22-36
Safety:	26
PSA:	26.03000
LogP:	2.59030

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Specification

The 5-Bromobenzooxazole, with CAS registry number 132244-31-6, belongs to the following product category: Miscellaneous. It has the systematic name of 5-bromo-1,3-benzoxazole. Besides this, it is also called benzoxazole, 5-bromo-. And the chemical formula of this chemical is C₇H₄BrNO.

Physical properties of 5-Bromobenzooxazole: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 459; (8)ACD/KOC (pH 7.4): 459; (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: 1.649; (14)Molar Refractivity: 42.176 cm³; (15)Molar Volume: 115.752 cm³; (16)Polarizability: 16.72×10^-24cm³; (17)Surface Tension: 51.264 dyne/cm; (18)Enthalpy of Vaporization: 46.871 kJ/mol; (19)Vapour Pressure: 0.033 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2ncoc2cc1
(2)InChI: InChI=1/C7H4BrNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
(3)InChIKey: PGOGTWDYLFKOHI-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H4BrNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
(5)Std. InChIKey: PGOGTWDYLFKOHI-UHFFFAOYSA-N