9-chlorobenzo[b][1,4]benzoxazepine

C13H8ClNO — CID 67762093

IUPAC9-chlorobenzo[b][1,4]benzoxazepine
SMILESClc1ccc2c(c1)Oc1ccccc1N=C2
InChIInChI=1S/C13H8ClNO/c14-10-6-5-9-8-15-11-3-1-2-4-12(11)16-13(9)7-10/h1-8H
InChIKeyUZZPJRQQMTWAOL-UHFFFAOYSA-N
MW229.67 g/mol
LogP4.20
Rot. Bonds

About 9-chlorobenzo[b][1,4]benzoxazepine

9-chlorobenzo[b][1,4]benzoxazepine (PubChem CID 67762093) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 9-chlorobenzo[b][1,4]benzoxazepine.

Molecular Properties

Compound Name9-chlorobenzo[b][1,4]benzoxazepine
PubChem CID67762093
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name9-chlorobenzo[b][1,4]benzoxazepine
SMILESClc1ccc2c(c1)Oc1ccccc1N=C2
InChIInChI=1S/C13H8ClNO/c14-10-6-5-9-8-15-11-3-1-2-4-12(11)16-13(9)7-10/h1-8H
InChIKeyUZZPJRQQMTWAOL-UHFFFAOYSA-N
XLogP4.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chlorobenzo[b][1,4]benzoxazepine?
The IUPAC name of 9-chlorobenzo[b][1,4]benzoxazepine (CID 67762093) is 9-chlorobenzo[b][1,4]benzoxazepine.
What is the SMILES notation for 9-chlorobenzo[b][1,4]benzoxazepine?
The canonical SMILES for 9-chlorobenzo[b][1,4]benzoxazepine is Clc1ccc2c(c1)Oc1ccccc1N=C2.
What is the InChIKey of 9-chlorobenzo[b][1,4]benzoxazepine?
The InChIKey is UZZPJRQQMTWAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-10-6-5-9-8-15-11-3-1-2-4-12(11)16-13(9)7-10/h1-8H.
What are the key properties of 9-chlorobenzo[b][1,4]benzoxazepine?
9-chlorobenzo[b][1,4]benzoxazepine has a molecular weight of 229.67 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorobenzo[b][1,4]benzoxazepine is sourced from PubChem (CID 67762093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).