4-bromobenzaldehyde;nitrous acid

C7H6BrNO3 — CID 175266489

IUPAC4-bromobenzaldehyde;nitrous acid
SMILESO=Cc1ccc(Br)cc1.O=NO
InChIInChI=1S/C7H5BrO.HNO2/c8-7-3-1-6(5-9)2-4-7;2-1-3/h1-5H;(H,2,3)
InChIKeyWZOMQEJHHVNERD-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.40
Rot. Bonds1

About 4-bromobenzaldehyde;nitrous acid

4-bromobenzaldehyde;nitrous acid (PubChem CID 175266489) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is 4-bromobenzaldehyde;nitrous acid.

Molecular Properties

Compound Name4-bromobenzaldehyde;nitrous acid
PubChem CID175266489
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Name4-bromobenzaldehyde;nitrous acid
SMILESO=Cc1ccc(Br)cc1.O=NO
InChIInChI=1S/C7H5BrO.HNO2/c8-7-3-1-6(5-9)2-4-7;2-1-3/h1-5H;(H,2,3)
InChIKeyWZOMQEJHHVNERD-UHFFFAOYSA-N
XLogP2.40
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-bromobenzaldehyde;nitrous acid?
The IUPAC name of 4-bromobenzaldehyde;nitrous acid (CID 175266489) is 4-bromobenzaldehyde;nitrous acid.
What is the SMILES notation for 4-bromobenzaldehyde;nitrous acid?
The canonical SMILES for 4-bromobenzaldehyde;nitrous acid is O=Cc1ccc(Br)cc1.O=NO.
What is the InChIKey of 4-bromobenzaldehyde;nitrous acid?
The InChIKey is WZOMQEJHHVNERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO.HNO2/c8-7-3-1-6(5-9)2-4-7;2-1-3/h1-5H;(H,2,3).
What are the key properties of 4-bromobenzaldehyde;nitrous acid?
4-bromobenzaldehyde;nitrous acid has a molecular weight of 232.03 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzaldehyde;nitrous acid is sourced from PubChem (CID 175266489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).