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40890-47-9

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Basic Information
CAS No.: 40890-47-9
Name: 2-BENZYL-4-CHLORO-5-METHOXY-3(2H)-PYRIDAZINONE
Article Data: 5
Molecular Structure:
Molecular Structure of 40890-47-9 (2-BENZYL-4-CHLORO-5-METHOXY-3(2H)-PYRIDAZINONE)
Formula: C12H11ClN2O2
Molecular Weight: 250.685
Synonyms: 2-Benzyl-4-chloro-5-methoxypyridazin-3(2H)-one;
Density: 1.27 g/cm3
Boiling Point: 395.5 °C at 760 mmHg
Flash Point: 193 °C
PSA: 44.12000
LogP: 1.95360
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Specification

The 3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-(phenylmethyl)- has the CAS registry number 40890-47-9. This chemical's molecular formula is C12H11ClN2O2 and molecular weight is 250.68. What's more, its systematic name is 2-benzyl-4-chloro-5-methoxypyridazin-3(2H)-one.

Physical properties of 3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-(phenylmethyl)- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 41.9 Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 66.41 cm3; (9)Molar Volume: 196.5 cm3; (10)Polarizability: 26.32×10-24cm3; (11)Surface Tension: 44.6 dyne/cm; (12)Density: 1.27 g/cm3; (13)Flash Point: 193 °C; (14)Enthalpy of Vaporization: 64.57 kJ/mol; (15)Boiling Point: 395.5 °C at 760 mmHg; (16)Vapour Pressure: 1.83E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C1=C(/OC)\C=N/N(C1=O)Cc2ccccc2
(2)InChI: InChI=1S/C12H11ClN2O2/c1-17-10-7-14-15(12(16)11(10)13)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
(3)InChIKey: KVZQNLPOHROISY-UHFFFAOYSA-N