CAS
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4-Chloro-2-(1-pyrrolidino)-5-thiazolecarboxaldehyde
Catalog Number
ACMA00000599
Category
Alkenyl
Molecular Weight
216.69
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Specification
Hazard Statements
H302
RIDADR
UN 1993C 3 / PGIII
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C8H9ClN2OS.
What is the molecular weight of the compound?
The molecular weight of the compound is 216.69 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H9ClN2OS/c9-7-6(5-12)13-8(10-7)11-3-1-2-4-11/h5H,1-4H2.
What is the InChIKey of the compound?
The InChIKey of the compound is RNCWKOPQPWDUBD-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CCN(C1)C2=NC(=C(S2)C=O)Cl.
What is the CAS number of the compound?
The CAS number of the compound is 175543-06-3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.7.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 61.4 Ǻ².
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