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| CAS No.: | 51934-38-4 |
|---|---|
| Name: | 6-bromonaphthalene-1-carboxylic acid |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H7BrO2 |
| Molecular Weight: | 251.079 |
| Synonyms: | 1-Naphthoicacid, 6-bromo- (6CI,7CI);6-Bromo-1-naphthoic acid;6-Bromonaphthalene-1-carboxylic acid .; |
| Density: | 1.649 g/cm3 |
| Boiling Point: | 421.194 °C at 760 mmHg |
| Flash Point: | 208.531 °C |
| PSA: | 37.30000 |
| LogP: | 3.30050 |
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- Total:17 Page 1 of 1 1
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Specification
The 1-Naphthalenecarboxylicacid, 6-bromo-, with the CAS registry number 51934-38-4, is also known as 6-Bromo-1-naphthoic acid. Its molecular formula is C11H7BrO2 and its molecular weight is 251.0761. Additionally, its systematic name is 6-bromonaphthalene-1-carboxylic acid.
Other characteristics of the 1-Naphthalenecarboxylicacid, 6-bromo- can be summarised as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 58.716 cm3; (15)Molar Volume: 152.264 cm3; (16)Polarizability: 23.277×10-24cm3; (17)Surface Tension: 59.975 dyne/cm; (18)Density: 1.649 g/cm3; (19)Flash Point: 208.531 °C; (20)Enthalpy of Vaporization: 71.18 kJ/mol; (21)Boiling Point: 421.194 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cccc2c1ccc(Br)c2
2.InChI: InChI=1/C11H7BrO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6H,(H,13,14)
3.InChIKey: FGUOFYYCGXFXOY-UHFFFAOYAY