2-bromobenzaldehyde;bromobenzene

C13H10Br2O — CID 174648828

IUPAC2-bromobenzaldehyde;bromobenzene
SMILESBrc1ccccc1.O=Cc1ccccc1Br
InChIInChI=1S/C7H5BrO.C6H5Br/c8-7-4-2-1-3-6(7)5-9;7-6-4-2-1-3-5-6/h1-5H;1-5H
InChIKeyLLDOECTZBMQWGU-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.71
Rot. Bonds1

About 2-bromobenzaldehyde;bromobenzene

2-bromobenzaldehyde;bromobenzene (PubChem CID 174648828) has the molecular formula C13H10Br2O and a molecular weight of 342.03 g/mol. Its IUPAC name is 2-bromobenzaldehyde;bromobenzene.

Molecular Properties

Compound Name2-bromobenzaldehyde;bromobenzene
PubChem CID174648828
Molecular FormulaC13H10Br2O
Molecular Weight342.03 g/mol
Exact Mass339.91
IUPAC Name2-bromobenzaldehyde;bromobenzene
SMILESBrc1ccccc1.O=Cc1ccccc1Br
InChIInChI=1S/C7H5BrO.C6H5Br/c8-7-4-2-1-3-6(7)5-9;7-6-4-2-1-3-5-6/h1-5H;1-5H
InChIKeyLLDOECTZBMQWGU-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.71
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 2-bromobenzaldehyde;bromobenzene?
The IUPAC name of 2-bromobenzaldehyde;bromobenzene (CID 174648828) is 2-bromobenzaldehyde;bromobenzene.
What is the SMILES notation for 2-bromobenzaldehyde;bromobenzene?
The canonical SMILES for 2-bromobenzaldehyde;bromobenzene is Brc1ccccc1.O=Cc1ccccc1Br.
What is the InChIKey of 2-bromobenzaldehyde;bromobenzene?
The InChIKey is LLDOECTZBMQWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO.C6H5Br/c8-7-4-2-1-3-6(7)5-9;7-6-4-2-1-3-5-6/h1-5H;1-5H.
What are the key properties of 2-bromobenzaldehyde;bromobenzene?
2-bromobenzaldehyde;bromobenzene has a molecular weight of 342.03 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzaldehyde;bromobenzene is sourced from PubChem (CID 174648828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).