CAS No.102735-84-2,5-CHLORO INDAZOLE-3-CARBOXALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102735-84-2
Name:	5-CHLORO INDAZOLE-3-CARBOXALDEHYDE
Article Data:	4

Formula:	C₈H₅ClN₂O
Molecular Weight:	180.593
Synonyms:	5-Chloro-1H-indazole-3-carboxaldehyde;
EINECS:	1806241-263-5
Density:	1.521 g/cm³
Boiling Point:	391.695 °C at 760 mmHg
Flash Point:	190.691 °C
PSA:	45.75000
LogP:	2.02880

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Specification

This chemical is called 5-Chloroindazole-3-carboxaldehyde, and it can also be named as 1H-indazole-3-carboxaldehyde, 5-chloro-. With the molecular formula of C₈H₅ClN₂O, its molecular weight is 180.59. The CAS registry number of this chemical is 102735-84-2, and its product categories is Indazole.

Other characteristics of the 5-Chloroindazole-3-carboxaldehyde can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 238; (8)ACD/KOC (pH 7.4): 238; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å²; (13)Index of Refraction: 1.748; (14)Molar Refractivity: 48.268 cm³; (15)Molar Volume: 118.712 cm³; (16)Polarizability: 19.135×10^-24cm³; (17)Surface Tension: 71.986 dyne/cm; (18)Density: 1.521 g/cm³; (19)Flash Point: 190.691 °C; (20)Enthalpy of Vaporization: 64.134 kJ/mol; (21)Boiling Point: 391.695 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc2c(cc1)nnc2C=O
2.InChI: InChI=1/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
3.InChIKey: XQELXOTYHCBYAI-UHFFFAOYAF
4.Std. InChI: InChI=1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)