8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one

• Catalog Number: ACMA00000901
• Category: Amines
• Molecular Weight: 195.65
• Molecular Formula: C₁₀H₁₀BrNO₂
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The molecular formula is C10H10ClNO.

What is the molecular weight of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The molecular weight is 195.64 g/mol.

What is the IUPAC name of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The IUPAC name is 8-chloro-1,2,3,4-tetrahydro-1-benzazepin-5-one.

What is the InChI code of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The InChI code is InChI=1S/C10H10ClNO/c11-7-3-4-8-9(6-7)12-5-1-2-10(8)13/h3-4,6,12H,1-2,5H2.

What is the InChIKey code of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The InChIKey code is VYAYCHCHFQVJHU-UHFFFAOYSA-N.

What is the canonical SMILES representation of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The canonical SMILES representation is C1CC(=O)C2=C(C=C(C=C2)Cl)NC1.

What is the CAS number of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The CAS number is 116815-03-3.

What is the EPA DSSTox Substance ID of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The EPA DSSTox Substance ID is DTXSID70440712.

What is the XLogP3-AA value of 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one?

The XLogP3-AA value is 2.4.

Is 8-Chloro-1,2,3,4-tetrahydro-benzo[b]azepin-5-one a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.