3-bromobenzaldehyde;carbon monoxide;chromium

C10H5BrCrO4 — CID 11001767

IUPAC3-bromobenzaldehyde;carbon monoxide;chromium
SMILESO=Cc1cccc(Br)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C7H5BrO.3CO.Cr/c8-7-3-1-2-6(4-7)5-9;3*1-2;/h1-5H;;;;
InChIKeyYQVPLCKFDPQBKQ-UHFFFAOYSA-N
MW321.05 g/mol
LogP2.15
Rot. Bonds1

About 3-bromobenzaldehyde;carbon monoxide;chromium

3-bromobenzaldehyde;carbon monoxide;chromium (PubChem CID 11001767) has the molecular formula C10H5BrCrO4 and a molecular weight of 321.05 g/mol. Its IUPAC name is 3-bromobenzaldehyde;carbon monoxide;chromium.

Molecular Properties

Compound Name3-bromobenzaldehyde;carbon monoxide;chromium
PubChem CID11001767
Molecular FormulaC10H5BrCrO4
Molecular Weight321.05 g/mol
Exact Mass319.88
IUPAC Name3-bromobenzaldehyde;carbon monoxide;chromium
SMILESO=Cc1cccc(Br)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C7H5BrO.3CO.Cr/c8-7-3-1-2-6(4-7)5-9;3*1-2;/h1-5H;;;;
InChIKeyYQVPLCKFDPQBKQ-UHFFFAOYSA-N
XLogP2.15
TPSA76.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.05
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromobenzaldehyde;hydrobromide
CID 87841856
3-bromobenzaldehyde;ethane
CID 91121301
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
carbon monoxide;chromium;terephthalaldehyde
CID 11108406
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
3-(4-bromophenoxy)benzaldehyde
CID 12874363
(1E,5E)-1,6-bis(3-bromophenyl)hexa-1,5-diene-3,4-dione;3-bromobenzaldehyde;butane-2,3-dione;ethanol;piperidine
CID 160854819
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
CID 134861589
CID 134861589

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzaldehyde;carbon monoxide;chromium?
The IUPAC name of 3-bromobenzaldehyde;carbon monoxide;chromium (CID 11001767) is 3-bromobenzaldehyde;carbon monoxide;chromium.
What is the SMILES notation for 3-bromobenzaldehyde;carbon monoxide;chromium?
The canonical SMILES for 3-bromobenzaldehyde;carbon monoxide;chromium is O=Cc1cccc(Br)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of 3-bromobenzaldehyde;carbon monoxide;chromium?
The InChIKey is YQVPLCKFDPQBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO.3CO.Cr/c8-7-3-1-2-6(4-7)5-9;3*1-2;/h1-5H;;;;.
What are the key properties of 3-bromobenzaldehyde;carbon monoxide;chromium?
3-bromobenzaldehyde;carbon monoxide;chromium has a molecular weight of 321.05 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzaldehyde;carbon monoxide;chromium is sourced from PubChem (CID 11001767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).