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CAS No.: | 89898-86-2 |
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Name: | 5-NITROPHTHALAZINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H5N3O2 |
Molecular Weight: | 175.147 |
Synonyms: | 5-Nitrophthalazine; |
Density: | 1.437g/cm3 |
Boiling Point: | 421.525 °C at 760 mmHg |
Flash Point: | 208.731 °C |
PSA: | 71.60000 |
LogP: | 2.06120 |
The Phthalazine, 5-nitro-, with CAS registry number 89898-86-2, has the systematic name of 5-nitrophthalazine. And the chemical formula of this chemical is C8H5N3O2. Its molecular weight is 175.14.
Physical properties of Phthalazine, 5-nitro-: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 30; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 46.823 cm3; (15)Molar Volume: 121.838 cm3; (16)Polarizability: 18.562×10-24cm3; (17)Surface Tension: 71.981 dyne/cm; (18)Enthalpy of Vaporization: 64.938 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)c1c2c(ccc1)cnnc2
(2)InChI: InChI=1/C8H5N3O2/c12-11(13)8-3-1-2-6-4-9-10-5-7(6)8/h1-5H
(3)InChIKey: NWASGBYNFZVASN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H5N3O2/c12-11(13)8-3-1-2-6-4-9-10-5-7(6)8/h1-5H
(5)Std. InChIKey: NWASGBYNFZVASN-UHFFFAOYSA-N