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CAS No.: | 179687-79-7 |
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Name: | 2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C12H9ClN2O3 |
Molecular Weight: | 264.668 |
Synonyms: | 3-Chloro-4-(2-pyridinylmethoxy)-1-nitrobenzene;3-Chloro-4-(2-pyridylmethyloxy)nitrobenzene;3-Chloro-4-[(2-pyridyl)methoxy]nitrobenzene; |
EINECS: | 605-865-3 |
Density: | 1.385 g/cm3 |
Melting Point: | 125-129oC |
Boiling Point: | 414.736 °C at 760 mmHg |
Flash Point: | 204.625 °C |
PSA: | 67.94000 |
LogP: | 3.74540 |
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The 2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine, with CAS registry number 179687-79-7, has the systematic name of 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine. Besides this, it is also called pyridine, 2-[(2-chloro-4-nitrophenoxy)methyl]-. And the chemical formula of this chemical is C12H9ClN2O3.
Physical properties about this chemical are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 83; (6)ACD/BCF (pH 7.4): 84; (7)ACD/KOC (pH 5.5): 820; (8)ACD/KOC (pH 7.4): 828; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 66.951 cm3; (15)Molar Volume: 191.154 cm3; (16)Polarizability: 26.541×10-24cm3; (17)Surface Tension: 55.435 dyne/cm; (18)Enthalpy of Vaporization: 64.179 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(OCc1ccccn1)c(Cl)c2
(2)InChI: InChI=1/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2
(3)InChIKey: GWYKHOLLVPAQFF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2
(5)Std. InChIKey: GWYKHOLLVPAQFF-UHFFFAOYSA-N