4-bromo-3-chlorobenzaldehyde

C7H4BrClO — CID 14049806

IUPAC4-bromo-3-chlorobenzaldehyde
SMILESO=Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyLDYVDYZLCRUOTM-UHFFFAOYSA-N
MW219.47 g/mol
LogP2.91
Rot. Bonds1

About 4-bromo-3-chlorobenzaldehyde

4-bromo-3-chlorobenzaldehyde (PubChem CID 14049806) has the molecular formula C7H4BrClO and a molecular weight of 219.47 g/mol. Its IUPAC name is 4-bromo-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-bromo-3-chlorobenzaldehyde
PubChem CID14049806
Molecular FormulaC7H4BrClO
Molecular Weight219.47 g/mol
Exact Mass217.91
IUPAC Name4-bromo-3-chlorobenzaldehyde
SMILESO=Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyLDYVDYZLCRUOTM-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.47
LogP ≤ 52.91
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

3-Chlorobenzaldehyde
CID 11477
4-Bromobenzaldehyde
CID 70741
4-Bromobenzoyl chloride
CID 68515
2-Bromo-5-chlorobenzaldehyde
CID 15391279
2-Bromo-4-chlorobenzaldehyde
CID 13154710
2-Bromo-6-chlorobenzaldehyde
CID 13524042
3-Bromo-4-chlorobenzaldehyde
CID 14049809
4-Bromo-2-chlorobenzaldehyde
CID 14109109
4-Bromo-5-chloro-2-fluorobenzaldehyde
CID 84798806
5-Bromo-2-chlorobenzaldehyde
CID 10608925
3-Bromo-5-chlorobenzaldehyde
CID 17750952
4-Bromo-3-chlorobenzoyl chloride
CID 19754905

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chlorobenzaldehyde?
The IUPAC name of 4-bromo-3-chlorobenzaldehyde (CID 14049806) is 4-bromo-3-chlorobenzaldehyde.
What is the SMILES notation for 4-bromo-3-chlorobenzaldehyde?
The canonical SMILES for 4-bromo-3-chlorobenzaldehyde is O=Cc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chlorobenzaldehyde?
The InChIKey is LDYVDYZLCRUOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H.
What are the key properties of 4-bromo-3-chlorobenzaldehyde?
4-bromo-3-chlorobenzaldehyde has a molecular weight of 219.47 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chlorobenzaldehyde is sourced from PubChem (CID 14049806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).