5-CHLORO-1H-INDOLE-2-CARBALDEHYDE
CAS: 53590-49-1
Ref. 3D-FC156614
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Informação sobre produto
- 5-Chloro-1H-Indole-2-Carbaldehyde
- 5-Chloro-1H-indole-2-carboxaldehyde
- 5-Chloro-2-indolecarboxaldehyde
5-Chloro-1H-indole-2-carboxaldehyde is an organic compound that belongs to the class of indole compounds. It has a molecular formula of C7H4ClN and a molecular weight of 136.8 g/mol. The optical band at 511 nm is due to the formation of an excited state with a singlet ground state. The acceptor properties are due to the electron donating ability of the amino group, which increases the electron density on nitrogen. Experimental parameters such as population, vibrational, and computational parameters are used in this experiment.
The computation parameters include:
A) Maximum number of iterations: 30000
B) Minimum distance between atoms: 0.001
C) Maximum distance between atoms: 50
D) Maximal displacement along bond: 1
E) Maximal displacement perpendicular to bond: 0.5
F) The first step consists of a minimization using a steepest descent algorithm with a
Propriedades químicas
Consulta técnica sobre: 3D-FC156614 5-CHLORO-1H-INDOLE-2-CARBALDEHYDE
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