3-chlorobenzaldehyde

C7H5ClO — CID 11477

IUPAC3-chlorobenzaldehyde
SMILESO=Cc1cccc(Cl)c1
InChIInChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKeySRWILAKSARHZPR-UHFFFAOYSA-N
MW140.57 g/mol
LogP2.15
Rot. Bonds1

About 3-chlorobenzaldehyde

3-chlorobenzaldehyde (PubChem CID 11477) has the molecular formula C7H5ClO and a molecular weight of 140.57 g/mol. Its IUPAC name is 3-chlorobenzaldehyde.

Molecular Properties

Compound Name3-chlorobenzaldehyde
PubChem CID11477
Molecular FormulaC7H5ClO
Molecular Weight140.57 g/mol
Exact Mass140.00
IUPAC Name3-chlorobenzaldehyde
SMILESO=Cc1cccc(Cl)c1
InChIInChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKeySRWILAKSARHZPR-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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Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzaldehyde?
The IUPAC name of 3-chlorobenzaldehyde (CID 11477) is 3-chlorobenzaldehyde.
What is the SMILES notation for 3-chlorobenzaldehyde?
The canonical SMILES for 3-chlorobenzaldehyde is O=Cc1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzaldehyde?
The InChIKey is SRWILAKSARHZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H.
What are the key properties of 3-chlorobenzaldehyde?
3-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 3-chlorobenzaldehyde is sourced from PubChem (CID 11477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).