CAS
94747-49-6 Purity
95%
94747-49-6 Purity
95%
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1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate
CAS
947498-93-3
Catalog Number
ACM947498933
Category
Other Products
Molecular Formula
C14H10N2O4S
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Specification
Synonyms
1H-Pyrrolo[2,3-b]pyridin-3-ol, 1-(phenylsulfonyl)-, 3-formate
What is the molecular formula of 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate?
The molecular formula is C14H10N2O4S.
What is the molecular weight of 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate?
The molecular weight is 302.31 g/mol.
What is the IUPAC name of 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate?
The IUPAC name is [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl] formate.
What is the InChI of 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate?
The InChI is InChI=1S/C14H10N2O4S/c17-10-20-13-9-16(14-12(13)7-4-8-15-14)21(18,19)11-5-2-1-3-6-11/h1-10H.
What is the InChIKey of 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate?
The InChIKey is KXSYYBJAEPMXMS-UHFFFAOYSA-N.
What is the canonical SMILES of 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate?
The canonical SMILES is C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)OC=O.
What is the XLogP3-AA value of 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate?
The XLogP3-AA value is 2.3.
How many hydrogen bond donor counts does 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-ol-3-formate have?
It has 4 rotatable bond counts.
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