CAS
936553-15-0 Purity
96%
936553-15-0 Purity
96%
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1H-Cycloocta[e]benzimidazole(9ci)
CAS
93659-10-0
Catalog Number
ACM93659100
Category
Other Products
Molecular Formula
C13H10N2
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Specification
Synonyms
1H-Cycloocta[e]benzimidazole(9CI)
What is the molecular formula of 1H-Cycloocta[e]benzimidazole(9CI)?
The molecular formula is C13H10N2.
When was 1H-Cycloocta[e]benzimidazole(9CI) created and modified?
It was created on March 30, 2010, and last modified on December 30, 2023.
What is the IUPAC name of 1H-Cycloocta[e]benzimidazole(9CI)?
The IUPAC name is (10Z,12Z,14Z)-3,5-diazatricyclo[7.6.0.0 2,6 ]pentadeca-1(9),2(6),3,7,10,12,14-heptaene.
What is the InChI of 1H-Cycloocta[e]benzimidazole(9CI)?
The InChI is InChI=1S/C13H10N2/c1-2-4-6-11-10(5-3-1)7-8-12-13(11)15-9-14-12/h1-9H,(H,14,15)/b2-1-,3-1?,4-2?,5-3-,6-4-,10-5?,11-6?
What is the InChIKey of 1H-Cycloocta[e]benzimidazole(9CI)?
The InChIKey is HSDZJKRAEYOXRK-RGCUJYPXSA-N.
What is the Canonical SMILES of 1H-Cycloocta[e]benzimidazole(9CI)?
The Canonical SMILES is C1=CC=CC2=C(C=C1)C=CC3=C2N=CN3.
How many hydrogen bond donor counts does 1H-Cycloocta[e]benzimidazole(9CI) have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 1H-Cycloocta[e]benzimidazole(9CI)?
The XLogP3-AA value is 3.6.
How many rotatable bond counts does 1H-Cycloocta[e]benzimidazole(9CI) have?
It has 0 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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