7-bromo-4-chlorobenzo[f][1]benzofuran

C12H6BrClO — CID 176753869

IUPAC7-bromo-4-chlorobenzo[f][1]benzofuran
SMILESClc1c2ccc(Br)cc2cc2occc12
InChIInChI=1S/C12H6BrClO/c13-8-1-2-9-7(5-8)6-11-10(12(9)14)3-4-15-11/h1-6H
InChIKeyVVXIWUSTZWGONH-UHFFFAOYSA-N
MW281.54 g/mol
LogP5.00
Rot. Bonds

About 7-bromo-4-chlorobenzo[f][1]benzofuran

7-bromo-4-chlorobenzo[f][1]benzofuran (PubChem CID 176753869) has the molecular formula C12H6BrClO and a molecular weight of 281.54 g/mol. Its IUPAC name is 7-bromo-4-chlorobenzo[f][1]benzofuran.

Molecular Properties

Compound Name7-bromo-4-chlorobenzo[f][1]benzofuran
PubChem CID176753869
Molecular FormulaC12H6BrClO
Molecular Weight281.54 g/mol
Exact Mass279.93
IUPAC Name7-bromo-4-chlorobenzo[f][1]benzofuran
SMILESClc1c2ccc(Br)cc2cc2occc12
InChIInChI=1S/C12H6BrClO/c13-8-1-2-9-7(5-8)6-11-10(12(9)14)3-4-15-11/h1-6H
InChIKeyVVXIWUSTZWGONH-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

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CID 18686752
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CID 163787145
6-bromo-1-benzofuran-4-amine
CID 155289967
2-bromo-7-chlorophenanthrene
CID 177099004
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene
CID 139902326
7-bromo-4,6-dichloro-1-benzofuran
CID 22144862
4-chloro-6-fluoro-1-benzofuran
CID 130062962
2,6-dibromonaphthalene
CID 640591
1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone
CID 83891911
7-bromo-4-chloroisoquinoline
CID 115044823

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chlorobenzo[f][1]benzofuran?
The IUPAC name of 7-bromo-4-chlorobenzo[f][1]benzofuran (CID 176753869) is 7-bromo-4-chlorobenzo[f][1]benzofuran.
What is the SMILES notation for 7-bromo-4-chlorobenzo[f][1]benzofuran?
The canonical SMILES for 7-bromo-4-chlorobenzo[f][1]benzofuran is Clc1c2ccc(Br)cc2cc2occc12.
What is the InChIKey of 7-bromo-4-chlorobenzo[f][1]benzofuran?
The InChIKey is VVXIWUSTZWGONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClO/c13-8-1-2-9-7(5-8)6-11-10(12(9)14)3-4-15-11/h1-6H.
What are the key properties of 7-bromo-4-chlorobenzo[f][1]benzofuran?
7-bromo-4-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 7-bromo-4-chlorobenzo[f][1]benzofuran is sourced from PubChem (CID 176753869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).