5-bromo-4-chloro-2-methylbenzaldehyde

C8H6BrClO — CID 84796500

IUPAC5-bromo-4-chloro-2-methylbenzaldehyde
SMILESCc1cc(Cl)c(Br)cc1C=O
InChIInChI=1S/C8H6BrClO/c1-5-2-8(10)7(9)3-6(5)4-11/h2-4H,1H3
InChIKeySVYHGFJKYQVNPW-UHFFFAOYSA-N
MW233.49 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-4-chloro-2-methylbenzaldehyde

5-bromo-4-chloro-2-methylbenzaldehyde (PubChem CID 84796500) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methylbenzaldehyde
PubChem CID84796500
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name5-bromo-4-chloro-2-methylbenzaldehyde
SMILESCc1cc(Cl)c(Br)cc1C=O
InChIInChI=1S/C8H6BrClO/c1-5-2-8(10)7(9)3-6(5)4-11/h2-4H,1H3
InChIKeySVYHGFJKYQVNPW-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methylbenzaldehyde?
The IUPAC name of 5-bromo-4-chloro-2-methylbenzaldehyde (CID 84796500) is 5-bromo-4-chloro-2-methylbenzaldehyde.
What is the SMILES notation for 5-bromo-4-chloro-2-methylbenzaldehyde?
The canonical SMILES for 5-bromo-4-chloro-2-methylbenzaldehyde is Cc1cc(Cl)c(Br)cc1C=O.
What is the InChIKey of 5-bromo-4-chloro-2-methylbenzaldehyde?
The InChIKey is SVYHGFJKYQVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c1-5-2-8(10)7(9)3-6(5)4-11/h2-4H,1H3.
What are the key properties of 5-bromo-4-chloro-2-methylbenzaldehyde?
5-bromo-4-chloro-2-methylbenzaldehyde has a molecular weight of 233.49 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-methylbenzaldehyde is sourced from PubChem (CID 84796500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).