2-chlorobenzaldehyde

C7H5ClO — CID 6996

IUPAC2-chlorobenzaldehyde
SMILESO=Cc1ccccc1Cl
InChIInChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKeyFPYUJUBAXZAQNL-UHFFFAOYSA-N
MW140.57 g/mol
LogP2.15
Rot. Bonds1

About 2-chlorobenzaldehyde

2-chlorobenzaldehyde (PubChem CID 6996) has the molecular formula C7H5ClO and a molecular weight of 140.57 g/mol. Its IUPAC name is 2-chlorobenzaldehyde.

Molecular Properties

Compound Name2-chlorobenzaldehyde
PubChem CID6996
Molecular FormulaC7H5ClO
Molecular Weight140.57 g/mol
Exact Mass140.00
IUPAC Name2-chlorobenzaldehyde
SMILESO=Cc1ccccc1Cl
InChIInChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKeyFPYUJUBAXZAQNL-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

Benzaldehyde
CID 240
4-Chlorobenzaldehyde
CID 7726
4-Chlorobenzoyl chloride
CID 8501
2,6-Dichlorobenzaldehyde
CID 6737
Ethanone, 1-(2-chlorophenyl)-
CID 72864
3-Chlorobenzaldehyde
CID 11477
2,4-Dichlorobenzoyl chloride
CID 66645
2-Chlorobenzoyl chloride
CID 69110
Methanone, (2-chlorophenyl)phenyl-
CID 78838
2,4-Dichlorobenzaldehyde
CID 13404
3,4-Dichlorobenzaldehyde
CID 22710
trans-2-Chlorochalcone
CID 5388549

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzaldehyde?
The IUPAC name of 2-chlorobenzaldehyde (CID 6996) is 2-chlorobenzaldehyde.
What is the SMILES notation for 2-chlorobenzaldehyde?
The canonical SMILES for 2-chlorobenzaldehyde is O=Cc1ccccc1Cl.
What is the InChIKey of 2-chlorobenzaldehyde?
The InChIKey is FPYUJUBAXZAQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H.
What are the key properties of 2-chlorobenzaldehyde?
2-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 2-chlorobenzaldehyde is sourced from PubChem (CID 6996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).