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| CAS No.: | 32189-34-7 |
|---|---|
| Name: | (R)-4-BROMOMANDELIC ACID |
| Molecular Structure: | |
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| Formula: | C8H7BrO3 |
| Molecular Weight: | 231.046 |
| Synonyms: | Benzeneaceticacid, 4-bromo-a-hydroxy-,(R)-;Mandelic acid, p-bromo-, (R)-(-)- (8CI);(-)-4-Bromomandelic acid;(R)-4-Bromomandelicacid;(R)-p-Bromomandelic acid;4-Bromo-D-mandelic acid;D-4-Bromomandelic acid; |
| Density: | 1.759 g/cm3 |
| Boiling Point: | 397.5 °C at 760 mmHg |
| Flash Point: | 194.2 °C |
| PSA: | 57.53000 |
| LogP: | 1.56710 |
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Specification
The CAS register number of Benzeneacetic acid,4-bromo-a-hydroxy-, (aR)- is 32189-34-7. It also can be called as (R)-4-Bromomandelicacid and the systematic name about this chemical is (4-bromophenyl)(hydroxy)acetic acid. The molecular formula about this chemical is C8H7BrO3 and the molecular weight is 231.04338.
Physical properties about Benzeneacetic acid,4-bromo-a-hydroxy-, (aR)- are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): -1.05; (3)ACD/LogD (pH 7.4): -2.01; (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: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 46.59 cm3; (14)Molar Volume: 131.3 cm3; (15)Polarizability: 18.47x10-24cm3; (16)Surface Tension: 64 dyne/cm; (17)Enthalpy of Vaporization: 68.33 kJ/mol; (18)Boiling Point: 397.5 °C at 760 mmHg; (19)Vapour Pressure: 4.96E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C(O)C(=O)O
(2)InChI: InChI=1/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
(3)InChIKey: BHZBRPQOYFDTAB-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
(5)Std. InChIKey: BHZBRPQOYFDTAB-UHFFFAOYSA-N