Basic information
- Name:
2H-1,4-Benzoxazine,7-bromo-3,4-dihydro-
- CAS No.:
105679-22-9
- Molecular Structure:
- Formula:
- C8H8BrNO
- Molecular Weight:
- 214.06
- Synonyms:
- 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine;7-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine;7-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine-3-carboxylic acid;7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine;
- Density:
- 1.534 g/cm3
- Boiling Point:
- 300.4 °C at 760 mmHg
- Flash Point:
- 135.5 °C
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Specification
The 2H-1,4-Benzoxazine,7-bromo-3,4-dihydro-, with the CAS registry number 105679-22-9, is also known as 7-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine. This chemical's molecular formula is C8H8BrNO and molecular weight is 214.06. What's more, its systematic name is 7-bromo-3,4-dihydro-2H-1,4-benzoxazine.
Physical properties of 2H-1,4-Benzoxazine,7-bromo-3,4-dihydro- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/BCF (pH 5.5): 97.2; (5)ACD/BCF (pH 7.4): 98.56; (6)ACD/KOC (pH 5.5): 917.57; (7)ACD/KOC (pH 7.4): 930.42; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 21.26 Å2; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 46.45 cm3; (14)Molar Volume: 139.5 cm3; (15)Surface Tension: 45 dyne/cm; (16)Density: 1.534 g/cm3; (17)Flash Point: 135.5 °C; (18)Enthalpy of Vaporization: 54.05 kJ/mol; (19)Boiling Point: 300.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00112 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2NCCOc2c1
(2)InChI: InChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
(3)InChIKey: JLZUUGCTPRPFKZ-UHFFFAOYSA-N
