CAS
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11-Methylbenzo[b]indeno[3,2-e]1h-1,4-diazepin-12-one
Catalog Number
ACMA00001161
Category
Amines
Molecular Weight
260.29
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Specification
Hazard Statements
H315-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound with PubChem CID 3282298?
The molecular formula is C17H12N2O.
What is the molecular weight of the compound?
The molecular weight is 260.29 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is 11-methyl-10H-indeno[2,1-c][1,5]benzodiazepin-12-one.
What is the InChIKey of the compound?
The InChIKey is WCQFBSQQGRLAGT-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CC1=C2C(=NC3=CC=CC=C3N1)C4=CC=CC=C4C2=O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
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 0 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 41.5Ų.
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