CAS
91652-00-5 Purity
96%
91652-00-5 Purity
96%
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1H-Pyrrolo[2,3-b]pyridine, 4-methoxy-1-(phenylsulfonyl)-
CAS
916574-87-3
Catalog Number
ACM916574873
Category
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Specification
Synonyms
1H-Pyrrolo[2,3-b]pyridine, 4-methoxy-1-(phenylsulfonyl)-
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(benzenesulfonyl)-4-methoxypyrrolo[2,3-b]pyridine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C14H12N2O3S/c1-19-13-7-9-15-14-12(13)8-10-16(14)20(17,18)11-5-3-2-4-6-11/h2-10H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is YDLCOYYLGDLUDX-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=C2C=CN(C2=NC=C1)S(=O)(=O)C3=CC=CC=C3.
What is the molecular weight of the compound?
The molecular weight of the compound is 288.32 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.5.
How many hydrogen bond donor atoms are there in the compound?
There are 0 hydrogen bond donor atoms in the compound.
How many hydrogen bond acceptor atoms are there in the compound?
There are 4 hydrogen bond acceptor atoms in the compound.
How many rotatable bonds are there in the compound?
There are 3 rotatable bonds in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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