2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde

C10H9BrO3 — CID 58404053

IUPAC2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde
SMILESO=Cc1cccc(C2OCCO2)c1Br
InChIInChI=1S/C10H9BrO3/c11-9-7(6-12)2-1-3-8(9)10-13-4-5-14-10/h1-3,6,10H,4-5H2
InChIKeyBFWWNRCZVJOIRR-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.31
Rot. Bonds2

About 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde

2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde (PubChem CID 58404053) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde
PubChem CID58404053
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde
SMILESO=Cc1cccc(C2OCCO2)c1Br
InChIInChI=1S/C10H9BrO3/c11-9-7(6-12)2-1-3-8(9)10-13-4-5-14-10/h1-3,6,10H,4-5H2
InChIKeyBFWWNRCZVJOIRR-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde?
The IUPAC name of 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde (CID 58404053) is 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde.
What is the SMILES notation for 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde?
The canonical SMILES for 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde is O=Cc1cccc(C2OCCO2)c1Br.
What is the InChIKey of 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde?
The InChIKey is BFWWNRCZVJOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c11-9-7(6-12)2-1-3-8(9)10-13-4-5-14-10/h1-3,6,10H,4-5H2.
What are the key properties of 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde?
2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde has a molecular weight of 257.08 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde is sourced from PubChem (CID 58404053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).