CAS
956628-37-8 Purity
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956628-37-8 Purity
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1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde,1-[(4-methylphenyl)sulfonyl]-
CAS
956716-93-1
Catalog Number
ACM956716931
Category
Other Products
Molecular Formula
C15H12N2O3S
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Specification
Synonyms
1-tosyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
What is the molecular formula of the compound?
The molecular formula of the compound is C15H12N2O3S.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H12N2O3S/c1-11-4-6-13(7-5-11)21(19,20)17-9-12(10-18)14-3-2-8-16-15(14)17/h2-10H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is KNUNHLCRCRUQIK-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)C=O.
What is the molecular weight of the compound?
The molecular weight of the compound is 300.3 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.3.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 4 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
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