copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate

C19H12BrClCuN2O6 — CID 139059900

IUPACcopper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate
SMILESO=Cc1cc(Br)ccc1[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H5BrO2.ClHO4.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-1-2-7(10)5(3-6)4-9;2-1(3,4)5;/h1-8H;1-4,10H;(H,2,3,4,5);/q;;;+2/p-2
InChIKeyQNMPIQSBUREIMR-UHFFFAOYSA-L
MW543.22 g/mol
LogP-0.64
Rot. Bonds1

About copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate

copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate (PubChem CID 139059900) has the molecular formula C19H12BrClCuN2O6 and a molecular weight of 543.22 g/mol. Its IUPAC name is copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate.

Molecular Properties

Compound Namecopper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate
PubChem CID139059900
Molecular FormulaC19H12BrClCuN2O6
Molecular Weight543.22 g/mol
Exact Mass540.89
IUPAC Namecopper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate
SMILESO=Cc1cc(Br)ccc1[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H5BrO2.ClHO4.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-1-2-7(10)5(3-6)4-9;2-1(3,4)5;/h1-8H;1-4,10H;(H,2,3,4,5);/q;;;+2/p-2
InChIKeyQNMPIQSBUREIMR-UHFFFAOYSA-L
XLogP-0.64
TPSA158.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate?
The IUPAC name of copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate (CID 139059900) is copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate.
What is the SMILES notation for copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate?
The canonical SMILES for copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate is O=Cc1cc(Br)ccc1[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate?
The InChIKey is QNMPIQSBUREIMR-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.C7H5BrO2.ClHO4.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-1-2-7(10)5(3-6)4-9;2-1(3,4)5;/h1-8H;1-4,10H;(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate?
copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate has a molecular weight of 543.22 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-bromo-2-formylphenolate;1,10-phenanthroline;perchlorate is sourced from PubChem (CID 139059900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).