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1023307-42-7

Basic Information
CAS No.: 1023307-42-7
Name: 3-Chloropyridazine-4-carboxylicacid
Molecular Structure:
Molecular Structure of 1023307-42-7 (3-Chloropyridazine-4-carboxylicacid)
Formula: C5H3ClN2O2
Molecular Weight: 158.54
Synonyms: 3-Chloro-4-pyridazinecarboxylic acid;
Density: 1.58 g/cm3
Boiling Point: 412.258 °C at 760 mmHg
Flash Point: 203.127 °C
PSA: 63.08000
LogP: 0.82820
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Specification

The 4-Pyridazinecarboxylic acid, 3-chloro-, with the CAS registry number 1023307-42-7, is also known as 3-Chloropyridazine-4-carboxylic acid. This chemical's molecular formula is C5H3ClN2O2 and molecular weight is 158.54. What's more, its systematic name is called 3-Chloro-4-pyridazinecarboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.164; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.28; (4)ACD/LogD (pH 7.4): -3.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.08 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 34.26 cm3; (15)Molar Volume: 100.361 cm3; (16)Polarizability: 13.582×10-24cm3; (17)Surface Tension: 73.21 dyne/cm; (18)Density: 1.58 g/cm3; (19)Flash Point: 203.127 °C; (20)Enthalpy of Vaporization: 70.102 kJ/mol; (21)Boiling Point: 412.258 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nnccc1C(=O)O
(2) InChI: InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)1-2-7-8-4/h1-2H,(H,9,10)
(3) InChIKey: DIIPMDIMBLOAHA-UHFFFAOYSA-N