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| CAS No.: | 64507-38-6 |
|---|---|
| Name: | CCRIS 6958 |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H6BrNO2 |
| Molecular Weight: | 252.07 |
| Synonyms: | 6-Bromoquinoline-8-carboxylicacid;6-Bromo-8-quinolinecarboxylic acid;6-Bromo-8-quinolinecarboxylic; |
| Density: | 1.732 g/cm3 |
| Boiling Point: | 433.9 °C at 760 mmHg |
| Flash Point: | 216.2 °C |
| PSA: | 50.19000 |
| LogP: | 2.69550 |
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- Total:27 Page 1 of 1 1
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Specification
The 8-Quinolinecarboxylicacid, 6-bromo-, with the CAS registry number 64507-38-6, is also known as 6-Bromo-8-quinolinecarboxylic acid. This chemical's molecular formula is C10H6BrNO2 and molecular weight is 252.07. What's more, its systematic name is 6-Bromoquinoline-8-carboxylic acid.
Physical properties of 8-Quinolinecarboxylicacid, 6-bromo- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.709; (12)Molar Refractivity: 56.8 cm3; (13)Molar Volume: 145.4 cm3; (14)Polarizability: 22.51×10-24 cm3; (15)Surface Tension: 68 dyne/cm; (16)Density: 1.732 g/cm3; (17)Flash Point: 216.2 °C; (18)Enthalpy of Vaporization: 72.72 kJ/mol; (19)Boiling Point: 433.9 °C at 760 mmHg; (20)Vapour Pressure: 2.68E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=CC(=CC(=C2N=C1)C(=O)O)Br
(2)InChI: InChI=1S/C10H6BrNO2/c11-7-4-6-2-1-3-12-9(6)8(5-7)10(13)14/h1-5H,(H,13,14)
(3)InChIKey: IPABRQMUPPNSMO-UHFFFAOYSA-N