2-bromo-8-deuteriodibenzofuran

C12H7BrO — CID 164823115

IUPAC2-bromo-8-deuteriodibenzofuran
SMILES[2H]c1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H/i1D
InChIKeyCRJISNQTZDMKQD-MICDWDOJSA-N
MW248.10 g/mol
LogP4.35
Rot. Bonds

About 2-bromo-8-deuteriodibenzofuran

2-bromo-8-deuteriodibenzofuran (PubChem CID 164823115) has the molecular formula C12H7BrO and a molecular weight of 248.10 g/mol. Its IUPAC name is 2-bromo-8-deuteriodibenzofuran.

Molecular Properties

Compound Name2-bromo-8-deuteriodibenzofuran
PubChem CID164823115
Molecular FormulaC12H7BrO
Molecular Weight248.10 g/mol
Exact Mass246.97
IUPAC Name2-bromo-8-deuteriodibenzofuran
SMILES[2H]c1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H/i1D
InChIKeyCRJISNQTZDMKQD-MICDWDOJSA-N
XLogP4.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-deuteriodibenzofuran
CID 90735776
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
2-bromodibenzofuran;naphthalen-2-amine
CID 175083033
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
8-bromo-1,2,3,4,5,6-hexadeuterionaphtho[1,2-b][1]benzofuran
CID 170653323
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
8-bromodibenzofuran-4-ol
CID 163774283
8-bromodibenzofuran-2-carbaldehyde
CID 23559412
7-bromo-2-methyldibenzofuran
CID 142427198
2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-deuteriodibenzofuran?
The IUPAC name of 2-bromo-8-deuteriodibenzofuran (CID 164823115) is 2-bromo-8-deuteriodibenzofuran.
What is the SMILES notation for 2-bromo-8-deuteriodibenzofuran?
The canonical SMILES for 2-bromo-8-deuteriodibenzofuran is [2H]c1ccc2oc3ccc(Br)cc3c2c1.
What is the InChIKey of 2-bromo-8-deuteriodibenzofuran?
The InChIKey is CRJISNQTZDMKQD-MICDWDOJSA-N. The full InChI is InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H/i1D.
What are the key properties of 2-bromo-8-deuteriodibenzofuran?
2-bromo-8-deuteriodibenzofuran has a molecular weight of 248.10 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-deuteriodibenzofuran is sourced from PubChem (CID 164823115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).