CAS
99455-05-7 Purity
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99455-05-7 Purity
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1-mehtyl-6-nitro-1H-indole
CAS
99459-48-0
Catalog Number
ACM99459480
Category
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What is the molecular formula of 1-methyl-6-nitro-1H-indole?
The molecular formula of 1-methyl-6-nitro-1H-indole is C9H8N2O2.
When was the compound created and last modified?
The compound was created on October 25, 2006, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-methyl-6-nitroindole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H8N2O2/c1-10-5-4-7-2-3-8(11(12)13)6-9(7)10/h2-6H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is AYGFFYXMDIOSFO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CN1C=CC2=C1C=C(C=C2)[N+](=O)[O-].
What is the CAS number of the compound?
The CAS number of the compound is 99459-48-0.
What is the molecular weight of the compound?
The molecular weight of the compound is 176.17 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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