3-Iodo-5,6-dimethoxy-1H-indazole supplier

Name
3-Iodo-5,6-dimethoxy-1H-indazole
EINECS
CAS No. 944904-29-4
Density 1.840g/cm³
Solubility
Melting Point
Formula C₉H₉IN₂O₂
Boiling Point 408.478 °C at 760 mmHg
Molecular Weight 304.08
Flash Point 200.841 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-iodo-5,6-dimethoxy-1H-indazole
PSA 47.14000
LogP 2.18470

3-Iodo-5,6-dimethoxy-1H-indazole Specification

The 3-Iodo-5,6-dimethoxy-1H-indazole, with CAS registry number 944904-29-4, has the systematic name of 3-iodo-5,6-dimethoxy-1H-indazole. And its IUPAC name is 3-iodo-5,6-dimethoxy-2H-indazole. Besides this, it is also called 1H-indazole, 3-iodo-5,6-dimethoxy-. And the chemical formula of this chemical is C₉H₉IN₂O₂.

Physical properties of 3-Iodo-5,6-dimethoxy-1H-indazole: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.418; (4)ACD/LogD (pH 7.4): 2.418; (5)ACD/BCF (pH 5.5): 40.496; (6)ACD/BCF (pH 7.4): 40.495; (7)ACD/KOC (pH 5.5): 492.267; (8)ACD/KOC (pH 7.4): 492.255; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.14 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 62.884 cm³; (15)Molar Volume: 165.173 cm³; (16)Polarizability: 24.929×10^-24cm³; (17)Surface Tension: 56.981 dyne/cm; (18)Enthalpy of Vaporization: 63.483 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2c(cc1OC)[nH]nc2I
(2)InChI: InChI=1/C9H9IN2O2/c1-13-7-3-5-6(4-8(7)14-2)11-12-9(5)10/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: GDKOKWILNDGZBR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H9IN2O2/c1-13-7-3-5-6(4-8(7)14-2)11-12-9(5)10/h3-4H,1-2H3,(H,11,12)
(5)Std. InChIKey: GDKOKWILNDGZBR-UHFFFAOYSA-N

Product Name

3-Iodo-5,6-dimethoxy-1H-indazole

3-Iodo-5,6-dimethoxy-1H-indazole Specification

Related Products

Hot Products