1H-Indazole-3-carboxylicacid, 5-iodo- supplier

Name
5-IODO-1H-INDAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 1077-97-0
Article Data7
CAS DataBase
Density 2.221 g/cm³
Solubility
Melting Point 375℃
Formula C₈H₅IN₂O₂
Boiling Point 512.118 °C at 760 mmHg
Molecular Weight 288.042
Flash Point 263.52 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Iodo-1H-indazole-3-carboxylicacid;5-Iodoindazole-3-carboxylic acid;
PSA 65.98000
LogP 1.86570

1H-Indazole-3-carboxylicacid, 5-iodo- Specification

The 1H-Indazole-3-carboxylicacid, 5-iodo-, with the CAS registry number 1077-97-0, has the systmatic name of 5-iodo-1H-indazole-3-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₈H₅IN₂O₂.

The physical properties of 1H-Indazole-3-carboxylicacid, 5-iodo- are as following: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.98 Å²; (13)Index of Refraction: 1.82; (14)Molar Refractivity: 56.457 cm³; (15)Molar Volume: 129.698 cm³; (16)Polarizability: 22.381×10^-24cm³; (17)Surface Tension: 92.842 dyne/cm; (18)Density: 2.221 g/cm³; (19)Flash Point: 263.52 °C; (20)Enthalpy of Vaporization: 82.467 kJ/mol; (21)Boiling Point: 512.118 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2nnc1ccc(I)cc12
(2)InChI: OC(=O)c2nnc1ccc(I)cc12
(3)InChIKey: VRWNCSJMDOUQJT-UHFFFAOYAO

Product Name

5-IODO-1H-INDAZOLE-3-CARBOXYLIC ACID

1H-Indazole-3-carboxylicacid, 5-iodo- Specification

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