4-bromo-2-chloro-1-benzofuran-3-carbaldehyde

C9H4BrClO2 — CID 82380186

IUPAC4-bromo-2-chloro-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(Cl)oc2cccc(Br)c12
InChIInChI=1S/C9H4BrClO2/c10-6-2-1-3-7-8(6)5(4-12)9(11)13-7/h1-4H
InChIKeyWWVHACDITNZFRY-UHFFFAOYSA-N
MW259.49 g/mol
LogP3.66
Rot. Bonds1

About 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde

4-bromo-2-chloro-1-benzofuran-3-carbaldehyde (PubChem CID 82380186) has the molecular formula C9H4BrClO2 and a molecular weight of 259.49 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-chloro-1-benzofuran-3-carbaldehyde
PubChem CID82380186
Molecular FormulaC9H4BrClO2
Molecular Weight259.49 g/mol
Exact Mass257.91
IUPAC Name4-bromo-2-chloro-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(Cl)oc2cccc(Br)c12
InChIInChI=1S/C9H4BrClO2/c10-6-2-1-3-7-8(6)5(4-12)9(11)13-7/h1-4H
InChIKeyWWVHACDITNZFRY-UHFFFAOYSA-N
XLogP3.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-oxochromene-3-carbaldehyde
CID 71414464
2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
CID 102367766
2-(4-bromo-1,2-benzoxazol-3-yl)benzaldehyde
CID 164915558
2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde
CID 96601537
8-bromonaphthalene-1-carbaldehyde
CID 13067255
2-bromo-6-(2-bromophenyl)benzaldehyde
CID 90419331
2-bromo-6-(4-chloropyrazol-1-yl)benzaldehyde
CID 131163378
1,2,3,4,9-pentabromodibenzofuran
CID 71392419
11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
CID 176795836
7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
5-bromo-[1]benzofuro[2,3-c]pyridine
CID 166801895
3-bromo-2-formylbenzonitrile
CID 119020859

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde?
The IUPAC name of 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde (CID 82380186) is 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde is O=Cc1c(Cl)oc2cccc(Br)c12.
What is the InChIKey of 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde?
The InChIKey is WWVHACDITNZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClO2/c10-6-2-1-3-7-8(6)5(4-12)9(11)13-7/h1-4H.
What are the key properties of 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde?
4-bromo-2-chloro-1-benzofuran-3-carbaldehyde has a molecular weight of 259.49 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 82380186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).