magnesium;4-bromobenzaldehyde;hexane;bromide

C13H18Br2MgO — CID 160780378

IUPACmagnesium;4-bromobenzaldehyde;hexane;bromide
SMILESO=Cc1ccc(Br)cc1.[Br-].[CH2-]CCCCC.[Mg+2]
InChIInChI=1S/C7H5BrO.C6H13.BrH.Mg/c8-7-3-1-6(5-9)2-4-7;1-3-5-6-4-2;;/h1-5H;1,3-6H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyFESVPCGESZCATK-UHFFFAOYSA-M
MW374.40 g/mol
LogP1.29
Rot. Bonds4

About magnesium;4-bromobenzaldehyde;hexane;bromide

magnesium;4-bromobenzaldehyde;hexane;bromide (PubChem CID 160780378) has the molecular formula C13H18Br2MgO and a molecular weight of 374.40 g/mol. Its IUPAC name is magnesium;4-bromobenzaldehyde;hexane;bromide.

Molecular Properties

Compound Namemagnesium;4-bromobenzaldehyde;hexane;bromide
PubChem CID160780378
Molecular FormulaC13H18Br2MgO
Molecular Weight374.40 g/mol
Exact Mass371.96
IUPAC Namemagnesium;4-bromobenzaldehyde;hexane;bromide
SMILESO=Cc1ccc(Br)cc1.[Br-].[CH2-]CCCCC.[Mg+2]
InChIInChI=1S/C7H5BrO.C6H13.BrH.Mg/c8-7-3-1-6(5-9)2-4-7;1-3-5-6-4-2;;/h1-5H;1,3-6H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyFESVPCGESZCATK-UHFFFAOYSA-M
XLogP1.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromophenacyl bromide
CID 7454
3-Bromobenzaldehyde
CID 76583
p-Bromoacetophenone
CID 7466
4-Bromobenzaldehyde
CID 70741
3-Bromo-4-fluorobenzaldehyde
CID 173604
2,2,4'-Tribromoacetophenone
CID 25776
4,4'-Dibromobenzophenone
CID 72868
2-Bromobenzaldehyde
CID 81129
1-Butanone, 1-(4-bromophenyl)-
CID 78680
p-Bromopropiophenone
CID 66312
2-(4-Bromophenyl)-2-oxoacetaldehyde
CID 233586
1-(4-Bromophenyl)butane-1,3-dione
CID 432653

Frequently Asked Questions

What is the IUPAC name of magnesium;4-bromobenzaldehyde;hexane;bromide?
The IUPAC name of magnesium;4-bromobenzaldehyde;hexane;bromide (CID 160780378) is magnesium;4-bromobenzaldehyde;hexane;bromide.
What is the SMILES notation for magnesium;4-bromobenzaldehyde;hexane;bromide?
The canonical SMILES for magnesium;4-bromobenzaldehyde;hexane;bromide is O=Cc1ccc(Br)cc1.[Br-].[CH2-]CCCCC.[Mg+2].
What is the InChIKey of magnesium;4-bromobenzaldehyde;hexane;bromide?
The InChIKey is FESVPCGESZCATK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5BrO.C6H13.BrH.Mg/c8-7-3-1-6(5-9)2-4-7;1-3-5-6-4-2;;/h1-5H;1,3-6H2,2H3;1H;/q;-1;;+2/p-1.
What are the key properties of magnesium;4-bromobenzaldehyde;hexane;bromide?
magnesium;4-bromobenzaldehyde;hexane;bromide has a molecular weight of 374.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-bromobenzaldehyde;hexane;bromide is sourced from PubChem (CID 160780378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).