[formyl(phenyl)boranyl]formaldehyde

C8H7BO2 — CID 174597614

IUPAC[formyl(phenyl)boranyl]formaldehyde
SMILESO=CB(C=O)c1ccccc1
InChIInChI=1S/C8H7BO2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H
InChIKeyPVJDBJIYFJNXEX-UHFFFAOYSA-N
MW145.95 g/mol
LogP-0.07
Rot. Bonds3

About [formyl(phenyl)boranyl]formaldehyde

[formyl(phenyl)boranyl]formaldehyde (PubChem CID 174597614) has the molecular formula C8H7BO2 and a molecular weight of 145.95 g/mol. Its IUPAC name is [formyl(phenyl)boranyl]formaldehyde.

Molecular Properties

Compound Name[formyl(phenyl)boranyl]formaldehyde
PubChem CID174597614
Molecular FormulaC8H7BO2
Molecular Weight145.95 g/mol
Exact Mass146.05
IUPAC Name[formyl(phenyl)boranyl]formaldehyde
SMILESO=CB(C=O)c1ccccc1
InChIInChI=1S/C8H7BO2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H
InChIKeyPVJDBJIYFJNXEX-UHFFFAOYSA-N
XLogP-0.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.95
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [formyl(phenyl)boranyl]formaldehyde?
The IUPAC name of [formyl(phenyl)boranyl]formaldehyde (CID 174597614) is [formyl(phenyl)boranyl]formaldehyde.
What is the SMILES notation for [formyl(phenyl)boranyl]formaldehyde?
The canonical SMILES for [formyl(phenyl)boranyl]formaldehyde is O=CB(C=O)c1ccccc1.
What is the InChIKey of [formyl(phenyl)boranyl]formaldehyde?
The InChIKey is PVJDBJIYFJNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of [formyl(phenyl)boranyl]formaldehyde?
[formyl(phenyl)boranyl]formaldehyde has a molecular weight of 145.95 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl(phenyl)boranyl]formaldehyde is sourced from PubChem (CID 174597614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).