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CAS No.: | 133240-26-3 |
---|---|
Name: | Methyl 4'-bromomethylbiphenyl-2-carboxylate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C15H13BrO2 |
Molecular Weight: | 305.17 |
Synonyms: | Methyl4-(2-bromomethylphenyl)benzoate; |
Density: | 1.374 g/cm3 |
Boiling Point: | 412.8 °C at 760 mmHg |
Flash Point: | 203.5 °C |
PSA: | 26.30000 |
LogP: | 4.03510 |
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The CAS register number of Methyl 4'-bromomethylbiphenyl-2-carboxylate is 133240-26-3. It also can be called as [1,1'-Biphenyl]-4-carboxylicacid, 2'-(bromomethyl)-, methyl ester and the systematic name about this chemical is methyl 4'-(bromomethyl)biphenyl-2-carboxylate. The molecular formula about this chemical is C15H13BrO2 and the molecular weight is 305.17.
Physical properties about Methyl 4'-bromomethylbiphenyl-2-carboxylate are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 774.66; (5)ACD/BCF (pH 7.4): 774.66; (6)ACD/KOC (pH 5.5): 4070.29; (7)ACD/KOC (pH 7.4): 4070.29; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 75.26 cm3; (13)Molar Volume: 222.1 cm3; (14)Polarizability: 29.83x10-24cm3; (15)Surface Tension: 44.7 dyne/cm; (16)Enthalpy of Vaporization: 66.55 kJ/mol; (17)Boiling Point: 412.8 °C at 760 mmHg; (18)Vapour Pressure: 5.04E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2ccccc2c1ccc(CBr)cc1
(2)InChI: InChI=1/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
(3)InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
(5)Std. InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYSA-N