CAS
90645-55-9 Purity
96%
90645-55-9 Purity
96%
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1H-Imidazole-5-carboxylic acid,4-chloro-1-ethyl-2-(1-naphthalenyl)-
CAS
906477-17-6
Catalog Number
ACM906477176
Category
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What is the molecular formula of 1H-Imidazole-5-carboxylic acid, 4-chloro-1-ethyl-2-(1-naphthalenyl)?
The molecular formula is C16H13ClN2O2.
What is the IUPAC name of the compound?
The IUPAC name is 5-chloro-3-ethyl-2-naphthalen-1-ylimidazole-4-carboxylic acid.
What is the InChI code of the compound?
The InChI code is InChI=1S/C16H13ClN2O2/c1-2-19-13(16(20)21)14(17)18-15(19)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,20,21).
What is the InChIKey of the compound?
The InChIKey is BCHBMNPGNWLIEU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCN1C(=C(N=C1C2=CC=CC3=CC=CC=C32)Cl)C(=O)O.
What is the molecular weight of the compound?
The molecular weight is 300.74 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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