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CAS No.: | 15868-62-9 |
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Name: | 7-METHOXY-2,3-DIMETHYL-4-NITRO-1-BENZOFURAN |
Molecular Structure: | |
Formula: | C11H11NO4 |
Molecular Weight: | 221.213 |
Synonyms: | 7-Methoxy-2,3-dimethyl-4-nitrobenzofuran; |
Density: | 1.265 g/cm3 |
Boiling Point: | 373.8 °C at 760 mmHg |
Flash Point: | 179.9 °C |
PSA: | 68.19000 |
LogP: | 3.48960 |
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The Benzofuran,7-methoxy-2,3-dimethyl-4-nitro-, with the CAS registry number 15868-62-9, is also known as 7-Methoxy-2,3-dimethyl-4-nitrobenzofuran. This chemical's molecular formula is C11H11NO4 and molecular weight is 221.2093. What's more, its systematic name is called 7-Methoxy-2,3-dimethyl-4-nitro-1-benzofuran.
Physical properties about Benzofuran,7-methoxy-2,3-dimethyl-4-nitro- are: (1)ACD/LogP: 3.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 190.29; (6)ACD/BCF (pH 7.4): 190.29; (7)ACD/KOC (pH 5.5): 1490.11; (8)ACD/KOC (pH 7.4): 1490.11; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.19 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 59.26 cm3; (15)Molar Volume: 174.7 cm3; (16)Polarizability: 23.49×10-24 cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 179.9 °C; (20)Enthalpy of Vaporization: 59.68 kJ/mol; (21)Boiling Point: 373.8 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(OC)c2oc(c(c12)C)C
(2) InChI: InChI=1/C11H11NO4/c1-6-7(2)16-11-9(15-3)5-4-8(10(6)11)12(13)14/h4-5H,1-3H3
(3) InChIKey: TYJRNAWRIUWZFW-UHFFFAOYAY