4-(4-nitrobenzoyl)benzaldehyde

C14H9NO4 — CID 15034803

IUPAC4-(4-nitrobenzoyl)benzaldehyde
SMILESO=Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H9NO4/c16-9-10-1-3-11(4-2-10)14(17)12-5-7-13(8-6-12)15(18)19/h1-9H
InChIKeyZUXMBUKWVLEZJJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.64
Rot. Bonds4

About 4-(4-nitrobenzoyl)benzaldehyde

4-(4-nitrobenzoyl)benzaldehyde (PubChem CID 15034803) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(4-nitrobenzoyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-nitrobenzoyl)benzaldehyde
PubChem CID15034803
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name4-(4-nitrobenzoyl)benzaldehyde
SMILESO=Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H9NO4/c16-9-10-1-3-11(4-2-10)14(17)12-5-7-13(8-6-12)15(18)19/h1-9H
InChIKeyZUXMBUKWVLEZJJ-UHFFFAOYSA-N
XLogP2.64
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrobenzoyl)benzaldehyde?
The IUPAC name of 4-(4-nitrobenzoyl)benzaldehyde (CID 15034803) is 4-(4-nitrobenzoyl)benzaldehyde.
What is the SMILES notation for 4-(4-nitrobenzoyl)benzaldehyde?
The canonical SMILES for 4-(4-nitrobenzoyl)benzaldehyde is O=Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(4-nitrobenzoyl)benzaldehyde?
The InChIKey is ZUXMBUKWVLEZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-9-10-1-3-11(4-2-10)14(17)12-5-7-13(8-6-12)15(18)19/h1-9H.
What are the key properties of 4-(4-nitrobenzoyl)benzaldehyde?
4-(4-nitrobenzoyl)benzaldehyde has a molecular weight of 255.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrobenzoyl)benzaldehyde is sourced from PubChem (CID 15034803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).