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| CAS No.: | 864825-81-0 |
|---|---|
| Name: | 4-BROMO-3,5-DIMETHYL-BENZAMIDE |
| Molecular Structure: | |
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| Formula: | C9H10BrNO |
| Molecular Weight: | 228.088 |
| Synonyms: | Benzamide, 4-bromo-3,5-dimethyl-; |
| Density: | 1.454 g/cm3 |
| Boiling Point: | 261.1 °C at 760 mmHg |
| Flash Point: | 111.7 °C |
| PSA: | 43.09000 |
| LogP: | 2.86510 |
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Specification
The CAS register number of 4-Bromo-3,5-dimethylbenzamide is 864825-81-0. It also can be called as Benzamide,4-bromo-3,5-dimethyl- and the systematic name about this chemical is 4-bromo-3,5-dimethyl-benzamide. The molecular formula about this chemical is C9H10BrNO and the molecular weight is 228.09.
Physical properties about 4-Bromo-3,5-dimethylbenzamide are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 2.68; (3)ACD/LogD (pH 7.4): 2.68 ; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 43.09Å2; (8)Index of Refraction: 1.584; (9)Molar Refractivity: 52.52 cm3; (10)Molar Volume: 156.8 cm3; (11)Polarizability: 20.82x10-24cm3; (12)Surface Tension: 45.5 dyne/cm; (13)Enthalpy of Vaporization: 49.88 kJ/mol; (14)Boiling Point: 261.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0118 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(C)c1Br)C(N)=O
(2)InChI: InChI=1/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
(3)InChIKey: ATWMWAQQPBRPCA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
(5)Std. InChIKey: ATWMWAQQPBRPCA-UHFFFAOYSA-N