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| Name |
phenyl 4,5-dimethoxy-2-nitrobenzoate |
EINECS | N/A |
| CAS No. | 100905-32-6 | Density | 1.303 g/cm3 |
| PSA | 90.58000 | LogP | 3.35440 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H13NO6 | Boiling Point | 487.234 °C at 760 mmHg |
| Molecular Weight | 303.271 | Flash Point | 215.312 °C |
| Transport Information | N/A | Appearance | white to off-white powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Thiazolecarboxylicacid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-meth |
phenyl 4,5-dimethoxy-2-nitrobenzoate Specification
The phenyl 4,5-dimethoxy-2-nitrobenzoate is an organic compound with the formula C15H13NO6. The systematic name of this chemical is phenyl 4,5-dimethoxy-2-nitrobenzoate. With the CAS registry number 100905-32-6, it is also named as benzoic acid, 4,5-dimethoxy-2-nitro-, phenyl ester.
Physical properties about phenyl 4,5-dimethoxy-2-nitrobenzoate are: (1)ACD/LogP: 3.18; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 90.58 Å2; (5)Index of Refraction: 1.583; (6)Molar Refractivity: 77.8 cm3; (7)Molar Volume: 232.697 cm3; (8)Polarizability: 30.842×10-24cm3; (9)Surface Tension: 48.316 dyne/cm; (10)Density: 1.303 g/cm3; (11)Flash Point: 215.312 °C; (12)Enthalpy of Vaporization: 75.31 kJ/mol; (13)Boiling Point: 487.234 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OC)cc1C(=O)Oc2ccccc2
(2)InChI: InChI=1/C15H13NO6/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)22-10-6-4-3-5-7-10/h3-9H,1-2H3
(3)InChIKey: TZYWYUNYWPSVFQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H13NO6/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)22-10-6-4-3-5-7-10/h3-9H,1-2H3
(5)Std. InChIKey: TZYWYUNYWPSVFQ-UHFFFAOYSA-N
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