CAS
904815-28-7 Purity
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904815-28-7 Purity
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4-Benzo[1,3]dioxol-5-yl-2,3-dihydro-1H-benzo[b][1,4]diazepine
CAS
904815-46-9
Catalog Number
ACM904815469
Category
Other Products
Molecular Weight
266.29
Molecular Formula
C16H14N2O2
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Specification
Synonyms
4-BENZO[1,3]DIOXOL-5-YL-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
What is the molecular formula of the compound?
The molecular formula of the compound is C16H14N2O2.
When was the compound created and last modified?
The compound was created on July 19, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H14N2O2/c1-2-4-14-13(3-1)17-8-7-12(18-14)11-5-6-15-16(9-11)20-10-19-15/h1-6,9,17H,7-8,10H2.
What is the InChIKey of the compound?
The InChIKey of the compound is WRNHZYLRRYWQBN-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1CNC2=CC=CC=C2N=C1C3=CC4=C(C=C3)OCO4.
What is the molecular weight of the compound?
The molecular weight of the compound is 266.29 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 42.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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