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| CAS No.: | 3883-95-2 |
|---|---|
| Name: | 3-BROMO-2-HYDROXYBENZOIC ACID |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C7H5BrO3 |
| Molecular Weight: | 217.019 |
| Synonyms: | Salicylicacid, 3-bromo- (6CI,7CI,8CI);3-Bromo-2-hydroxybenzoic acid;3-Bromosalicylicacid; |
| Density: | 1.861 g/cm3 |
| Melting Point: | 219-220 °C |
| Boiling Point: | 301.4 °C at 760 mmHg |
| Flash Point: | 136.1 °C |
| PSA: | 57.53000 |
| LogP: | 1.85290 |
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Specification
The Benzoic acid,3-bromo-2-hydroxy-, with CAS registry number 3883-95-2, belongs to the following product category: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. It has the systematic name of 3-bromo-2-hydroxybenzoic acid. And the chemical formula of this chemical is C7H5BrO3.
Physical properties of Benzoic acid,3-bromo-2-hydroxy-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 42.75 cm3; (15)Molar Volume: 116.5 cm3; (16)Polarizability: 16.94×10-24cm3; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.861 g/cm3; (19)Flash Point: 136.1 °C; (20)Enthalpy of Vaporization: 57.18 kJ/mol; (21)Boiling Point: 301.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000469 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(C(=O)O)c1O
(2)InChI: InChI=1/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
(3)InChIKey: BHPSQWRVKOPSOQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
(5)Std. InChIKey: BHPSQWRVKOPSOQ-UHFFFAOYSA-N