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CAS No.: | 31786-45-5 |
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Name: | 2-BROMO-6-METHOXYBENZOIC ACID |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H7BrO3 |
Molecular Weight: | 231.046 |
Synonyms: | o-Anisicacid, 6-bromo- (8CI);6-Bromo-2-methoxybenzoicacid; |
Density: | 1.625 g/cm3 |
Melting Point: | 127-129 °C |
Boiling Point: | 315.119 °C at 760 mmHg |
Flash Point: | 144.379 °C |
PSA: | 46.53000 |
LogP: | 2.15590 |
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The CAS register number of 2-Bromo-6-methoxybenzoic acid is 31786-45-5. It also can be called as Benzoic acid,2-bromo-6-methoxy- and the systematic name about this chemical is 2-bromo-6-methoxybenzoic acid. The molecular formula about this chemical is C8H7BrO3 and the molecular weight is 231.04338.
Physical properties about 2-Bromo-6-methoxybenzoic acid are: (1)ACD/LogP: 2.33; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.53Å2; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 47.552 cm3; (14)Molar Volume: 142.15 cm3; (15)Polarizability: 18.851x10-24cm3; (16)Surface Tension: 49.247 dyne/cm; (17)Flash Point: 144.379 °C; (18)Enthalpy of Vaporization: 58.737 kJ/mol; (19)Boiling Point: 315.119 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(OC)cccc1Br
(2)InChI: InChI=1/C8H7BrO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: BNYFDICJYCBPRW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: BNYFDICJYCBPRW-UHFFFAOYSA-N