6-bromobenzo[a]phenoxazin-5-one

C16H8BrNO2 — CID 12933237

IUPAC6-bromobenzo[a]phenoxazin-5-one
SMILESO=c1c(Br)c2oc3ccccc3nc-2c2ccccc12
InChIInChI=1S/C16H8BrNO2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H
InChIKeyKJDHUVPCFNMQHZ-UHFFFAOYSA-N
MW326.15 g/mol
LogP4.21
Rot. Bonds

About 6-bromobenzo[a]phenoxazin-5-one

6-bromobenzo[a]phenoxazin-5-one (PubChem CID 12933237) has the molecular formula C16H8BrNO2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 6-bromobenzo[a]phenoxazin-5-one.

Molecular Properties

Compound Name6-bromobenzo[a]phenoxazin-5-one
PubChem CID12933237
Molecular FormulaC16H8BrNO2
Molecular Weight326.15 g/mol
Exact Mass324.97
IUPAC Name6-bromobenzo[a]phenoxazin-5-one
SMILESO=c1c(Br)c2oc3ccccc3nc-2c2ccccc12
InChIInChI=1S/C16H8BrNO2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H
InChIKeyKJDHUVPCFNMQHZ-UHFFFAOYSA-N
XLogP4.21
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromobenzo[a]phenoxazin-5-one?
The IUPAC name of 6-bromobenzo[a]phenoxazin-5-one (CID 12933237) is 6-bromobenzo[a]phenoxazin-5-one.
What is the SMILES notation for 6-bromobenzo[a]phenoxazin-5-one?
The canonical SMILES for 6-bromobenzo[a]phenoxazin-5-one is O=c1c(Br)c2oc3ccccc3nc-2c2ccccc12.
What is the InChIKey of 6-bromobenzo[a]phenoxazin-5-one?
The InChIKey is KJDHUVPCFNMQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrNO2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H.
What are the key properties of 6-bromobenzo[a]phenoxazin-5-one?
6-bromobenzo[a]phenoxazin-5-one has a molecular weight of 326.15 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromobenzo[a]phenoxazin-5-one is sourced from PubChem (CID 12933237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).