CAS
91367-09-8 Purity
96%
91367-09-8 Purity
96%
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3-Pyridinecarbonitrile,5-[(4-chloro-2-nitrophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-phenyl-(9ci)
CAS
913713-01-6
Catalog Number
ACM913713016
Category
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What is the molecular formula of 3-Pyridinecarbonitrile,5-[(4-chloro-2-nitrophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-phenyl-(9ci)?
The molecular formula is C19H12ClN5O4.
When was this compound created and modified?
It was created on January 23, 2019, and modified on December 30, 2023.
What is the IUPAC name of this compound?
The IUPAC name is 5-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-carbonitrile.
What is the InChI of this compound?
The InChI is InChI=1S/C19H12ClN5O4/c1-11-14(10-21)18(26)24(13-5-3-2-4-6-13)19(27)17(11)23-22-15-8-7-12(20)9-16(15)25(28)29/h2-9,26H,1H3.
What is the InChIKey of this compound?
The InChIKey is LLFCCVYOSNUHOC-UHFFFAOYSA-N.
What is the Canonical SMILES of this compound?
The Canonical SMILES is CC1=C(C(=O)N(C(=C1C#N)O)C2=CC=CC=C2)N=NC3=C(C=C(C=C3)Cl)[N+](=O)[O-].
What is the molecular weight of this compound?
The molecular weight is 409.8 g/mol.
How many hydrogen bond donor counts does this compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of this compound?
The topological polar surface area is 135 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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