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Name |
1,2-Benzisoxazole,5-bromo- |
EINECS | N/A |
CAS No. | 837392-65-1 | Density | 1.711 g/cm3 |
PSA | 26.03000 | LogP | 2.59030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4BrNO | Boiling Point | 276.122 °C at 760 mmHg |
Molecular Weight | 198.019 | Flash Point | 120.794 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-1,2-benzoxazole; |
Article Data | 7 |
This chemical is called 1,2-Benzisoxazole,5-bromo-, and it can also be named as 5-bromo-1,2-benzoxazole. With the molecular formula of C7H4BrNO, its molecular weight is 198.02. The CAS registry number of this chemical is 837392-65-1.
Other characteristics of the1,2-Benzisoxazole,5-bromo- can be summarised as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.03 Å2; (7)Index of Refraction: 1.649; (8)Molar Refractivity: 42.176 cm3; (9)Molar Volume: 115.752 cm3; (10)Polarizability: 16.72 ×10-24 cm3; (11)Surface Tension: 51.264 dyne/cm ; (12)Density: 1.711 g/cm3; (13)Flash Point: 120.794 °C; (14)Enthalpy of Vaporization: 49.392 kJ/mol; (15)Boiling Point: 276.122 °C at 760 mmHg; (16)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2cc1c(onc1)cc2
2.InChI: InChI=1/C7H4BrNO/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H
3.InChIKey: XAGKLUNARLSYDT-UHFFFAOYAS