2-chloro-8-nitrodibenzofuran

C12H6ClNO3 — CID 22361375

IUPAC2-chloro-8-nitrodibenzofuran
SMILESO=[N+]([O-])c1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H6ClNO3/c13-7-1-3-11-9(5-7)10-6-8(14(15)16)2-4-12(10)17-11/h1-6H
InChIKeyGYJKBCWQJDQRSH-UHFFFAOYSA-N
MW247.64 g/mol
LogP4.15
Rot. Bonds1

About 2-chloro-8-nitrodibenzofuran

2-chloro-8-nitrodibenzofuran (PubChem CID 22361375) has the molecular formula C12H6ClNO3 and a molecular weight of 247.64 g/mol. Its IUPAC name is 2-chloro-8-nitrodibenzofuran.

Molecular Properties

Compound Name2-chloro-8-nitrodibenzofuran
PubChem CID22361375
Molecular FormulaC12H6ClNO3
Molecular Weight247.64 g/mol
Exact Mass247.00
IUPAC Name2-chloro-8-nitrodibenzofuran
SMILESO=[N+]([O-])c1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H6ClNO3/c13-7-1-3-11-9(5-7)10-6-8(14(15)16)2-4-12(10)17-11/h1-6H
InChIKeyGYJKBCWQJDQRSH-UHFFFAOYSA-N
XLogP4.15
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-nitrodibenzofuran?
The IUPAC name of 2-chloro-8-nitrodibenzofuran (CID 22361375) is 2-chloro-8-nitrodibenzofuran.
What is the SMILES notation for 2-chloro-8-nitrodibenzofuran?
The canonical SMILES for 2-chloro-8-nitrodibenzofuran is O=[N+]([O-])c1ccc2oc3ccc(Cl)cc3c2c1.
What is the InChIKey of 2-chloro-8-nitrodibenzofuran?
The InChIKey is GYJKBCWQJDQRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClNO3/c13-7-1-3-11-9(5-7)10-6-8(14(15)16)2-4-12(10)17-11/h1-6H.
What are the key properties of 2-chloro-8-nitrodibenzofuran?
2-chloro-8-nitrodibenzofuran has a molecular weight of 247.64 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-nitrodibenzofuran is sourced from PubChem (CID 22361375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).