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13645-43-7

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Basic Information
CAS No.: 13645-43-7
Name: 4,5-Dichloro-6-nitro-2,3-dihydropyridazin-3-one
Article Data: 2
Molecular Structure:
Molecular Structure of 13645-43-7 (4,5-Dichloro-6-nitro-2,3-dihydropyridazin-3-one)
Formula: C4HCl2N3O3
Molecular Weight: 209.976
Synonyms: 4,5-Dichloro-6-nitropyridazin-3-ol;4,5-dichloro-6-nitro-2H-pyridazin-3-one;4,5-dichloro-6-nitro-2,3-dihydropyridazin-3-one;4,5-dichloro-6-nitro-3(2H)pyridazinone;
EINECS: 200-001-2
Density: 2.11 g/cm3
Melting Point: 184 °C
PSA: 91.83000
LogP: 1.92040
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Specification

The 4,5-Dichloro-6-nitro-2,3-dihydropyridazin-3-one, with the CAS registry number 13645-43-7, is also known as 3-Hydroxy-4,5-dichloro-6-nitropyridazine. This chemical's molecular formula is C4HCl2N3O3 and molecular weight is 209.98. What's more, its systematic name is 4,5-Dichloro-6-nitropyridazin-3(2H)-one.

Physical properties about 4,5-Dichloro-6-nitro-2,3-dihydropyridazin-3-one: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Molar Refractivity: 40.24 cm3; (13)Polar Surface Area: 78.49 Å2; (14)Index of Refraction: 1.746; (15)Molar Volume: 99 cm3; (16)Surface Tension: 86.6 dyne/cm; (17)Density: 2.11 g/cm3; (18)Melting point: 184 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC=1\C(=N/NC(=O)C=1Cl)[N+]([O-])=O
(2) InChI: InChI=1/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)
(3) InChIKey: SCNATHDZNWMBOX-UHFFFAOYAR