Products Categories
CAS No.: | 35351-45-2 |
---|---|
Name: | 2-Benzofurancarbonitrile, 5-bromo- |
Molecular Structure: | |
Formula: | C9H4BrNO |
Molecular Weight: | 222.04 |
Synonyms: | 5-Bromo-1-benzofuran-2-carbonitrile; |
Density: | 1.71 g/cm3 |
Melting Point: | 149-151 °C |
Boiling Point: | 321.5 °C at 760 mmHg |
Flash Point: | 148.2 °C |
PSA: | 36.93000 |
LogP: | 3.06698 |
What can I do for you?
Get Best Price
The 2-Benzofurancarbonitrile, 5-bromo- has the CAS registry number 35351-45-2. This chemical's molecular formula is C9H4BrNO and molecular weight is 222.04. What's more, its systematic name is 5-bromo-1-benzofuran-2-carbonitrile.
Physical properties of 2-Benzofurancarbonitrile, 5-bromo- are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.69; (6)ACD/BCF (pH 7.4): 90.69; (7)ACD/KOC (pH 5.5): 876.69; (8)ACD/KOC (pH 7.4): 876.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.93 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 49.08 cm3; (15)Molar Volume: 129.6 cm3; (16)Polarizability: 19.45×10-24cm3; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.71 g/cm3; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 56.32 kJ/mol; (21)Boiling Point: 321.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000298 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2cc(C#N)oc2cc1
(2)InChI: InChI=1S/C9H4BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H
(3)InChIKey: SBGMVGYYYFGZJF-UHFFFAOYSA-N