1-bromo-6-nitrodibenzofuran

C12H6BrNO3 — CID 142427337

IUPAC1-bromo-6-nitrodibenzofuran
SMILESO=[N+]([O-])c1cccc2c1oc1cccc(Br)c12
InChIInChI=1S/C12H6BrNO3/c13-8-4-2-6-10-11(8)7-3-1-5-9(14(15)16)12(7)17-10/h1-6H
InChIKeyNKKVKOMBOMBOBS-UHFFFAOYSA-N
MW292.09 g/mol
LogP4.26
Rot. Bonds1

About 1-bromo-6-nitrodibenzofuran

1-bromo-6-nitrodibenzofuran (PubChem CID 142427337) has the molecular formula C12H6BrNO3 and a molecular weight of 292.09 g/mol. Its IUPAC name is 1-bromo-6-nitrodibenzofuran.

Molecular Properties

Compound Name1-bromo-6-nitrodibenzofuran
PubChem CID142427337
Molecular FormulaC12H6BrNO3
Molecular Weight292.09 g/mol
Exact Mass290.95
IUPAC Name1-bromo-6-nitrodibenzofuran
SMILESO=[N+]([O-])c1cccc2c1oc1cccc(Br)c12
InChIInChI=1S/C12H6BrNO3/c13-8-4-2-6-10-11(8)7-3-1-5-9(14(15)16)12(7)17-10/h1-6H
InChIKeyNKKVKOMBOMBOBS-UHFFFAOYSA-N
XLogP4.26
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 54.26
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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Related Compounds

3,3-dimethyl-8-nitro-[1]benzofuro[3,2-f]chromene
CID 69398684
3-methyl-6-nitrodibenzofuran
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CID 10516017
5-bromo-1-methyl-4-nitronaphthalene
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1,5,9-trinitrotriphenylene
CID 86227277
1-bromo-2-nitrobenzene
CID 158366116
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
1,8-dihydroxy-4-nitroxanthen-9-one
CID 5326637
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
1-bromo-2-nitrobenzene;ethane
CID 91072043
3-(chloromethyl)-2-methyl-7-nitro-1-benzofuran
CID 70199996

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-nitrodibenzofuran?
The IUPAC name of 1-bromo-6-nitrodibenzofuran (CID 142427337) is 1-bromo-6-nitrodibenzofuran.
What is the SMILES notation for 1-bromo-6-nitrodibenzofuran?
The canonical SMILES for 1-bromo-6-nitrodibenzofuran is O=[N+]([O-])c1cccc2c1oc1cccc(Br)c12.
What is the InChIKey of 1-bromo-6-nitrodibenzofuran?
The InChIKey is NKKVKOMBOMBOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrNO3/c13-8-4-2-6-10-11(8)7-3-1-5-9(14(15)16)12(7)17-10/h1-6H.
What are the key properties of 1-bromo-6-nitrodibenzofuran?
1-bromo-6-nitrodibenzofuran has a molecular weight of 292.09 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-nitrodibenzofuran is sourced from PubChem (CID 142427337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).