3-bromo-2-chlorodibenzofuran

C12H6BrClO — CID 154949827

IUPAC3-bromo-2-chlorodibenzofuran
SMILESClc1cc2c(cc1Br)oc1ccccc12
InChIInChI=1S/C12H6BrClO/c13-9-6-12-8(5-10(9)14)7-3-1-2-4-11(7)15-12/h1-6H
InChIKeyYWIQJKBETCZBQC-UHFFFAOYSA-N
MW281.54 g/mol
LogP5.00
Rot. Bonds

About 3-bromo-2-chlorodibenzofuran

3-bromo-2-chlorodibenzofuran (PubChem CID 154949827) has the molecular formula C12H6BrClO and a molecular weight of 281.54 g/mol. Its IUPAC name is 3-bromo-2-chlorodibenzofuran.

Molecular Properties

Compound Name3-bromo-2-chlorodibenzofuran
PubChem CID154949827
Molecular FormulaC12H6BrClO
Molecular Weight281.54 g/mol
Exact Mass279.93
IUPAC Name3-bromo-2-chlorodibenzofuran
SMILESClc1cc2c(cc1Br)oc1ccccc12
InChIInChI=1S/C12H6BrClO/c13-9-6-12-8(5-10(9)14)7-3-1-2-4-11(7)15-12/h1-6H
InChIKeyYWIQJKBETCZBQC-UHFFFAOYSA-N
XLogP5.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-3-phenyldibenzofuran
CID 166918311
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
10,14,16-trioxahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene
CID 176865658
3-(2-chlorophenyl)dibenzofuran
CID 138667405
dibenzofuran;molecular hydrogen
CID 173065186

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chlorodibenzofuran?
The IUPAC name of 3-bromo-2-chlorodibenzofuran (CID 154949827) is 3-bromo-2-chlorodibenzofuran.
What is the SMILES notation for 3-bromo-2-chlorodibenzofuran?
The canonical SMILES for 3-bromo-2-chlorodibenzofuran is Clc1cc2c(cc1Br)oc1ccccc12.
What is the InChIKey of 3-bromo-2-chlorodibenzofuran?
The InChIKey is YWIQJKBETCZBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClO/c13-9-6-12-8(5-10(9)14)7-3-1-2-4-11(7)15-12/h1-6H.
What are the key properties of 3-bromo-2-chlorodibenzofuran?
3-bromo-2-chlorodibenzofuran has a molecular weight of 281.54 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chlorodibenzofuran is sourced from PubChem (CID 154949827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).