8-chlorobenzo[d][2,3]benzoxazepine

C13H8ClNO — CID 19697506

IUPAC8-chlorobenzo[d][2,3]benzoxazepine
SMILESClc1cccc2c1=CON=c1ccccc1=2
InChIInChI=1S/C13H8ClNO/c14-12-6-3-5-9-10-4-1-2-7-13(10)15-16-8-11(9)12/h1-8H
InChIKeyGPPCMBXKLBEABU-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.93
Rot. Bonds

About 8-chlorobenzo[d][2,3]benzoxazepine

8-chlorobenzo[d][2,3]benzoxazepine (PubChem CID 19697506) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 8-chlorobenzo[d][2,3]benzoxazepine.

Molecular Properties

Compound Name8-chlorobenzo[d][2,3]benzoxazepine
PubChem CID19697506
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name8-chlorobenzo[d][2,3]benzoxazepine
SMILESClc1cccc2c1=CON=c1ccccc1=2
InChIInChI=1S/C13H8ClNO/c14-12-6-3-5-9-10-4-1-2-7-13(10)15-16-8-11(9)12/h1-8H
InChIKeyGPPCMBXKLBEABU-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chlorobenzo[d][2,3]benzoxazepine?
The IUPAC name of 8-chlorobenzo[d][2,3]benzoxazepine (CID 19697506) is 8-chlorobenzo[d][2,3]benzoxazepine.
What is the SMILES notation for 8-chlorobenzo[d][2,3]benzoxazepine?
The canonical SMILES for 8-chlorobenzo[d][2,3]benzoxazepine is Clc1cccc2c1=CON=c1ccccc1=2.
What is the InChIKey of 8-chlorobenzo[d][2,3]benzoxazepine?
The InChIKey is GPPCMBXKLBEABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-12-6-3-5-9-10-4-1-2-7-13(10)15-16-8-11(9)12/h1-8H.
What are the key properties of 8-chlorobenzo[d][2,3]benzoxazepine?
8-chlorobenzo[d][2,3]benzoxazepine has a molecular weight of 229.67 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorobenzo[d][2,3]benzoxazepine is sourced from PubChem (CID 19697506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).