CAS No.1008-07-7,7-CHLORO-3-FORMYLINDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1008-07-7
Name:	7-CHLORO-3-FORMYLINDOLE
Article Data:	12

Formula:	C₉H₆ClNO
Molecular Weight:	179.606
Synonyms:	7-Chloro-3-indolecarboxaldehyde;Indole-3-carboxaldehyde,7-chloro- (7CI,8CI);3-Formyl-7-chloro-1H-indole;7-Chloro-1H-indole-3-carboxaldehyde;
Density:	1.431 g/cm³
Boiling Point:	373.4 °C at 760 mmHg
Flash Point:	179.6 °C
PSA:	32.86000
LogP:	2.63380

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Specification

The 1H-Indole-3-carboxaldehyde,7-chloro-, with the CAS registry number 1008-07-7, is also known as ZINC12375035. This chemical's molecular formula is C₉H₆ClNO and molecular weight is 179.60304. Its IUPAC name is called 7-chloro-1H-indole-3-carbaldehyde.

Physical properties of 1H-Indole-3-carboxaldehyde,7-chloro-: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.59; (5)ACD/BCF (pH 7.4): 77.59; (6)ACD/KOC (pH 5.5): 784; (7)ACD/KOC (pH 7.4): 784; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.731; (12)Molar Refractivity: 50.17 cm³; (13)Molar Volume: 125.4 cm³; (14)Surface Tension: 61.6 dyne/cm; (15)Density: 1.431 g/cm³; (16)Flash Point: 179.6 °C; (17)Enthalpy of Vaporization: 62.07 kJ/mol; (18)Boiling Point: 373.4 °C at 760 mmHg; (19)Vapour Pressure: 8.99E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)Cl)NC=C2C=O
(2)InChI: InChI=1S/C9H6ClNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
(3)InChIKey: NHJNOJSRXQVQRT-UHFFFAOYSA-N