4-chlorobenzaldehyde

C7H5ClO — CID 7726

IUPAC4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1
InChIInChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKeyAVPYQKSLYISFPO-UHFFFAOYSA-N
MW140.57 g/mol
LogP2.15
Rot. Bonds1

About 4-chlorobenzaldehyde

4-chlorobenzaldehyde (PubChem CID 7726) has the molecular formula C7H5ClO and a molecular weight of 140.57 g/mol. Its IUPAC name is 4-chlorobenzaldehyde.

Molecular Properties

Compound Name4-chlorobenzaldehyde
PubChem CID7726
Molecular FormulaC7H5ClO
Molecular Weight140.57 g/mol
Exact Mass140.00
IUPAC Name4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1
InChIInChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKeyAVPYQKSLYISFPO-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 52.15
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

4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
4-[2-(4-chlorophenyl)-3,4-dioxocyclobuten-1-yl]benzaldehyde
CID 101435244
benzaldehyde;4-chlorobenzaldehyde;4-methylbenzaldehyde
CID 158703985
1,4-dichlorobenzene;formyl chloride
CID 174264230
benzene;terephthalaldehyde
CID 163498156
4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde
CID 12925058
4-chlorobenzaldehyde;1-methoxy-2-methylbenzene
CID 144659378
carbon monoxide;chromium;terephthalaldehyde
CID 11108406
4-[(Z)-2-chloroethenyl]benzaldehyde
CID 177460651
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-[1-(4-chlorophenyl)sulfanylethoxy]benzaldehyde
CID 10424453
4-propan-2-ylbenzaldehyde
CID 326

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzaldehyde?
The IUPAC name of 4-chlorobenzaldehyde (CID 7726) is 4-chlorobenzaldehyde.
What is the SMILES notation for 4-chlorobenzaldehyde?
The canonical SMILES for 4-chlorobenzaldehyde is O=Cc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzaldehyde?
The InChIKey is AVPYQKSLYISFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H.
What are the key properties of 4-chlorobenzaldehyde?
4-chlorobenzaldehyde has a molecular weight of 140.57 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzaldehyde is sourced from PubChem (CID 7726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).