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| CAS No.: | 1013-83-8 |
|---|---|
| Name: | 5-BROMO-2-NAPHTHOIC ACID |
| Molecular Structure: | |
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| Formula: | C11H7BrO2 |
| Molecular Weight: | 251.079 |
| Synonyms: | 2-Naphthoicacid, 5-bromo- (7CI,8CI);5-Bromo-2-naphthoic acid;5-Bromonaphthalene-2-carboxylic acid; |
| Density: | 1.648 g/cm3 |
| Melting Point: | 270°C |
| Boiling Point: | 387.296 °C at 760 mmHg |
| Flash Point: | 188.03 °C |
| PSA: | 37.30000 |
| LogP: | 3.30050 |
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Specification
The 2-Naphthalenecarboxylicacid, 5-bromo-, with the CAS registry number 1013-83-8, is also known as 5-Bromo-2-naphthoic acid. This chemical's molecular formula is C11H7BrO2 and formula weight is 251.0761. What's more, its systematic name is called 5-bromonaphthalene-2-carboxylic acid.
Physical properties of 2-Naphthalenecarboxylicacid, 5-bromo-: (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): 16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 94; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.698; (13)Molar Refractivity: 58.716 cm3; (14)Molar Volume: 152.264 cm3; (15)Surface Tension: 59.975 dyne/cm; (16)Density: 1.649 g/cm3; (17)Flash Point: 188.03 °C; (18)Enthalpy of Vaporization: 67.119 kJ/mol; (19)Boiling Point: 387.296 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2c(c1)cccc2Br
(2)InChI: InChI=1/C11H7BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
(3)InChIKey: QPOQPJDDJJNVRY-UHFFFAOYAP