2-bromo-6-chloro-4-methylbenzaldehyde

C8H6BrClO — CID 131261147

IUPAC2-bromo-6-chloro-4-methylbenzaldehyde
SMILESCc1cc(Cl)c(C=O)c(Br)c1
InChIInChI=1S/C8H6BrClO/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
InChIKeyFRXSXFHDMAXUBO-UHFFFAOYSA-N
MW233.49 g/mol
LogP3.22
Rot. Bonds1

About 2-bromo-6-chloro-4-methylbenzaldehyde

2-bromo-6-chloro-4-methylbenzaldehyde (PubChem CID 131261147) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-bromo-6-chloro-4-methylbenzaldehyde
PubChem CID131261147
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name2-bromo-6-chloro-4-methylbenzaldehyde
SMILESCc1cc(Cl)c(C=O)c(Br)c1
InChIInChI=1S/C8H6BrClO/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
InChIKeyFRXSXFHDMAXUBO-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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Related Compounds

2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene
CID 162025130
2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
2,4-dibromo-6-methylbenzaldehyde
CID 102195216
3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde
CID 132603186
6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde
CID 155413959
2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
CID 139346154
5-bromo-4-chloro-2-methylbenzaldehyde
CID 84796500
3-chloro-2-fluoro-5-methylbenzaldehyde
CID 84654476
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
2,6-dichloro-4-methylsulfanylbenzaldehyde
CID 87864028

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-methylbenzaldehyde?
The IUPAC name of 2-bromo-6-chloro-4-methylbenzaldehyde (CID 131261147) is 2-bromo-6-chloro-4-methylbenzaldehyde.
What is the SMILES notation for 2-bromo-6-chloro-4-methylbenzaldehyde?
The canonical SMILES for 2-bromo-6-chloro-4-methylbenzaldehyde is Cc1cc(Cl)c(C=O)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-4-methylbenzaldehyde?
The InChIKey is FRXSXFHDMAXUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3.
What are the key properties of 2-bromo-6-chloro-4-methylbenzaldehyde?
2-bromo-6-chloro-4-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 2-bromo-6-chloro-4-methylbenzaldehyde is sourced from PubChem (CID 131261147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).