3-bromo-9-chlorobenzo[f][1]benzofuran

C12H6BrClO — CID 176753905

IUPAC3-bromo-9-chlorobenzo[f][1]benzofuran
SMILESClc1c2ccccc2cc2c(Br)coc12
InChIInChI=1S/C12H6BrClO/c13-10-6-15-12-9(10)5-7-3-1-2-4-8(7)11(12)14/h1-6H
InChIKeyZRIZDQRQVNQWKI-UHFFFAOYSA-N
MW281.54 g/mol
LogP5.00
Rot. Bonds

About 3-bromo-9-chlorobenzo[f][1]benzofuran

3-bromo-9-chlorobenzo[f][1]benzofuran (PubChem CID 176753905) has the molecular formula C12H6BrClO and a molecular weight of 281.54 g/mol. Its IUPAC name is 3-bromo-9-chlorobenzo[f][1]benzofuran.

Molecular Properties

Compound Name3-bromo-9-chlorobenzo[f][1]benzofuran
PubChem CID176753905
Molecular FormulaC12H6BrClO
Molecular Weight281.54 g/mol
Exact Mass279.93
IUPAC Name3-bromo-9-chlorobenzo[f][1]benzofuran
SMILESClc1c2ccccc2cc2c(Br)coc12
InChIInChI=1S/C12H6BrClO/c13-10-6-15-12-9(10)5-7-3-1-2-4-8(7)11(12)14/h1-6H
InChIKeyZRIZDQRQVNQWKI-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-bromo-9-chlorobenzo[f][1]benzofuran
CID 176753820
20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155484512
3-bromo-6-chloro-9-propan-2-ylbenzo[f][1]benzofuran
CID 176753834
3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
CID 163787145
5,12-dichlorotetracene
CID 87498157
3-bromo-8-chlorochromen-4-one
CID 175669775
1,2,10-trichloroanthracene
CID 123180958
9-bromo-14-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155763695
3-bromo-2-chlorophenanthrene
CID 166845355
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
3-bromo-6-chloro-7-fluoro-1-benzofuran
CID 146082035
4-chlorobenzo[g][1]benzofuran
CID 176753824

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-chlorobenzo[f][1]benzofuran?
The IUPAC name of 3-bromo-9-chlorobenzo[f][1]benzofuran (CID 176753905) is 3-bromo-9-chlorobenzo[f][1]benzofuran.
What is the SMILES notation for 3-bromo-9-chlorobenzo[f][1]benzofuran?
The canonical SMILES for 3-bromo-9-chlorobenzo[f][1]benzofuran is Clc1c2ccccc2cc2c(Br)coc12.
What is the InChIKey of 3-bromo-9-chlorobenzo[f][1]benzofuran?
The InChIKey is ZRIZDQRQVNQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClO/c13-10-6-15-12-9(10)5-7-3-1-2-4-8(7)11(12)14/h1-6H.
What are the key properties of 3-bromo-9-chlorobenzo[f][1]benzofuran?
3-bromo-9-chlorobenzo[f][1]benzofuran 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-9-chlorobenzo[f][1]benzofuran is sourced from PubChem (CID 176753905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).