CAS No.660425-07-0,5-CHLOROPYRIDAZIN-3-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	660425-07-0
Name:	5-CHLOROPYRIDAZIN-3-OL

Formula:	C₄H₃ClN₂O
Molecular Weight:	130.53
Synonyms:	4-Chloro-1H-pyridazin-6-one;
Density:	1.553 g/cm³
Risk Codes:	20/21/22-36/37/38
Safety:	22-26-36/37/39
PSA:	46.01000
LogP:	0.83560

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Specification

The 3(2H)-Pyridazinone, 5-chloro-, with the CAS registry number 660425-07-0, is also known as 5-Chloro-3(2H)-pyridazinone. This chemical's molecular formula is C₄H₃ClN₂O and molecular weight is 130.53. What's more, its IUPAC name is called 4-Chloro-1H-pyridazin-6-one.

Physical properties about 3(2H)-Pyridazinone, 5-chloro- are: (1)ACD/LogP: -0.469; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 13.23; (8)ACD/KOC (pH 7.4): 13.20; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 29.986 cm³; (15)Molar Volume: 84.066 cm³; (16)Polarizability: 11.887×10^-24cm³; (17)Surface Tension: 54.125 dyne/cm; (18)Density: 1.553 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC=1/C=N\NC(=O)C=1
(2) InChI: InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8)
(3) InChIKey: NHMLZGFOEYLZEN-UHFFFAOYSA-N