92553-57-6 Purity
96%
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Specification
The molecular formula of Chembrdg-bb 4010478 is C11H9ClN2O.
The molecular weight of Chembrdg-bb 4010478 is 220.65 g/mol.
Chembrdg-bb 4010478 was created on July 31, 2007, and last modified on December 30, 2023.
The IUPAC name of Chembrdg-bb 4010478 is 1-[1-(4-chlorophenyl)pyrazol-4-yl]ethanone.
The Canonical SMILES of Chembrdg-bb 4010478 is CC(=O)C1=CN(N=C1)C2=CC=C(C=C2)Cl.
The InChIKey of Chembrdg-bb 4010478 is IUTPSVNWIWQIDX-UHFFFAOYSA-N.
The XLogP3-AA value of Chembrdg-bb 4010478 is 2.2.
Chembrdg-bb 4010478 has 2 hydrogen bond acceptor counts.
The topological polar surface area of Chembrdg-bb 4010478 is 34.9 Ų.
Yes, Chembrdg-bb 4010478 is a canonicalized compound according to PubChem.