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| CAS No.: | 58263-53-9 |
|---|---|
| Name: | 4-CHLORO-3,5-DINITRO-BENZOIC ACID ISOBUTYL ESTER |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C11H11ClN2O6 |
| Molecular Weight: | 302.671 |
| Synonyms: | 4-Chloro-3,5-dinitrobenzoicacid isobutyl ester; |
| Density: | 1.421 g/cm3 |
| Boiling Point: | 406.3 °C at 760 mmHg |
| Flash Point: | 199.5 °C |
| PSA: | 117.94000 |
| LogP: | 4.01560 |
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- Total:27 Page 1 of 1 1
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Specification
This chemical is called 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate, and it can also be named as Isobutyl 4-chloro-3,5-dinitrobenzoate. With the molecular formula of C11H11ClN2O6, its molecular weight is 302.67. The CAS registry number of this chemical is 58263-53-9.
Other characteristics of the 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate can be summarised as followings: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 117.94 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 69.86 cm3; (9)Molar Volume: 212.8 cm3; (10)Polarizability: 27.69×10-24cm3; (11)Surface Tension: 53.5 dyne/cm; (12)Density: 1.421 g/cm3; (13)Flash Point: 199.5 °C; (14)Enthalpy of Vaporization: 65.8 kJ/mol; (15)Boiling Point: 406.3 °C at 760 mmHg; (16)Vapour Pressure: 8.22E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1Cl)C(=O)OCC(C)C
2.InChI: InChI=1/C11H11ClN2O6/c1-6(2)5-20-11(15)7-3-8(13(16)17)10(12)9(4-7)14(18)19/h3-4,6H,5H2,1-2H3
3.InChIKey:MHWMKXCBVGGVSX-UHFFFAOYAJ