4-bromo-3-chloro-2-hydroxybenzaldehyde

C7H4BrClO2 — CID 54044741

IUPAC4-bromo-3-chloro-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(Br)c(Cl)c1O
InChIInChI=1S/C7H4BrClO2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-3,11H
InChIKeyLOTVJXPEUIMWLX-UHFFFAOYSA-N
MW235.46 g/mol
LogP2.62
Rot. Bonds1

About 4-bromo-3-chloro-2-hydroxybenzaldehyde

4-bromo-3-chloro-2-hydroxybenzaldehyde (PubChem CID 54044741) has the molecular formula C7H4BrClO2 and a molecular weight of 235.46 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-bromo-3-chloro-2-hydroxybenzaldehyde
PubChem CID54044741
Molecular FormulaC7H4BrClO2
Molecular Weight235.46 g/mol
Exact Mass233.91
IUPAC Name4-bromo-3-chloro-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(Br)c(Cl)c1O
InChIInChI=1S/C7H4BrClO2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-3,11H
InChIKeyLOTVJXPEUIMWLX-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-hydroxybenzaldehyde?
The IUPAC name of 4-bromo-3-chloro-2-hydroxybenzaldehyde (CID 54044741) is 4-bromo-3-chloro-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-bromo-3-chloro-2-hydroxybenzaldehyde?
The canonical SMILES for 4-bromo-3-chloro-2-hydroxybenzaldehyde is O=Cc1ccc(Br)c(Cl)c1O.
What is the InChIKey of 4-bromo-3-chloro-2-hydroxybenzaldehyde?
The InChIKey is LOTVJXPEUIMWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-3,11H.
What are the key properties of 4-bromo-3-chloro-2-hydroxybenzaldehyde?
4-bromo-3-chloro-2-hydroxybenzaldehyde has a molecular weight of 235.46 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-hydroxybenzaldehyde is sourced from PubChem (CID 54044741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).