Basic Information | Post buying leads | Suppliers |
Name |
4-(Pyridazin-3-yl)benzoic acid |
EINECS | N/A |
CAS No. | 216060-22-9 | Density | 1.302 g/cm3 |
PSA | 63.08000 | LogP | 1.84180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H8N2O2 | Boiling Point | 472.5 °C at 760 mmHg |
Molecular Weight | 200.197 | Flash Point | 239.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(PYRIDAZIN-3-YL)BENZOIC ACID |
The 4-(Pyridazin-3-yl)benzoic acid, has the CAS registry number 216060-22-9. This chemical's molecular formula is C11H8N2O2 and molecular weight is 200.19342. What's more, its systematic name is 4-(Pyridazin-3-yl)benzoic acid.
Physical properties about 4-(Pyridazin-3-yl)benzoic acid are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.08 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 53.95 cm3; (13)Molar Volume: 153.6 cm3; (14)Polarizability: 21.39×10-24 cm3; (15)Surface Tension: 61.8 dyne/cm; (16)Density: 1.302 g/cm3; (17)Flash Point: 239.6 °C; (18)Enthalpy of Vaporization: 77.48 kJ/mol; (19)Boiling Point: 472.5 °C at 760 mmHg; (20)Vapour Pressure: 9.83E-10 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: OC(=O)c1ccc(cc1)c2cccnn2
(2) InChI: InChI=1/C11H8N2O2/c14-11(15)9-5-3-8(4-6-9)10-2-1-7-12-13-10/h1-7H,(H,14,15)
(3) InChIKey: FJBBZZOMNVFEHC-UHFFFAOYAR