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869335-75-1

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Basic Information
CAS No.: 869335-75-1
Name: 4-Chloro-3-(Trifluoromethyl)-1H-Pyrrolo[2,3-b]Pyridine
Molecular Structure:
Molecular Structure of 869335-75-1 (4-Chloro-3-(Trifluoromethyl)-1H-Pyrrolo[2,3-b]Pyridine)
Formula: C8H4ClF3N2
Molecular Weight: 220.58
Synonyms: 1H-Pyrrolo[2,3-b]pyridine,4-chloro-3-(trifluoromethyl);
Density: 1.569 g/cm3
PSA: 28.68000
LogP: 3.23510
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Specification

The CAS number of the 4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is 869335-75-1. Its molecular formula is C8H4ClF3N2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0  ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 28.68 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 46.495 cm3; (9)Molar Volume: 140.557 cm3; (10)Polarizability: 18.432×10-24cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2c1c(Cl)ccnc1nc2
(2)InChI: InChI=1/C8H4ClF3N2/c9-5-1-2-13-7-6(5)4(3-14-7)8(10,11)12/h1-3H,(H,13,14)
(3)InChIKey: PMQCMQSPOHRVBS-UHFFFAOYAN