CAS
95056-36-3 Purity
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95056-36-3 Purity
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![3-Isoquinolinecarboxamide,N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-6-quinazolinyl]phenyl]methyl]-](https://resource.alfa-chemistry.com/structure/950569-46-7.gif)
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Quinazoline,4-chloro-2-(1,1-dimethylethyl)-6-iodo-
CAS
950576-97-3
Catalog Number
ACM950576973
Category
Other Products
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What is the molecular formula of the compound?
The molecular formula of the compound is C12H12ClIN2.
What are the synonyms of the compound?
The synonyms of the compound are 950576-97-3, 2-(tert-Butyl)-4-chloro-6-iodoquinazoline, 2-tert-butyl-4-chloro-6-iodoquinazoline, and quinazoline,4-chloro-2-(1,1-dimethylethyl)-6-iodo-.
What is the computed molecular weight of the compound?
The computed molecular weight of the compound is 346.59 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-tert-butyl-4-chloro-6-iodoquinazoline.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H12ClIN2/c1-12(2,3)11-15-9-5-4-7(14)6-8(9)10(13)16-11/h4-6H,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is KRKILLHMSNUGRU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)(C)C1=NC2=C(C=C(C=C2)I)C(=N1)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.9.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
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