benzene;neodymium;phenylphosphonic acid

C12H12NdO3P- — CID 159714726

IUPACbenzene;neodymium;phenylphosphonic acid
SMILESO=P(O)(O)c1ccccc1.[Nd].[c-]1ccccc1
InChIInChI=1S/C6H7O3P.C6H5.Nd/c7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H2,7,8,9);1-5H;/q;-1;
InChIKeyBOIKLTRHCTVFNH-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.98
Rot. Bonds1

About benzene;neodymium;phenylphosphonic acid

benzene;neodymium;phenylphosphonic acid (PubChem CID 159714726) has the molecular formula C12H12NdO3P- and a molecular weight of 379.44 g/mol. Its IUPAC name is benzene;neodymium;phenylphosphonic acid.

Molecular Properties

Compound Namebenzene;neodymium;phenylphosphonic acid
PubChem CID159714726
Molecular FormulaC12H12NdO3P-
Molecular Weight379.44 g/mol
Exact Mass376.96
IUPAC Namebenzene;neodymium;phenylphosphonic acid
SMILESO=P(O)(O)c1ccccc1.[Nd].[c-]1ccccc1
InChIInChI=1S/C6H7O3P.C6H5.Nd/c7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H2,7,8,9);1-5H;/q;-1;
InChIKeyBOIKLTRHCTVFNH-UHFFFAOYSA-N
XLogP1.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 66766975
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CID 172995244
sodium;isothiocyanic acid;phenylphosphonic acid
CID 172846333
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonamidic acid
CID 18388605
benzene;methanol;vanadium
CID 58080465
benzene;methanol;rhenium
CID 159592647
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid
CID 130317683

Frequently Asked Questions

What is the IUPAC name of benzene;neodymium;phenylphosphonic acid?
The IUPAC name of benzene;neodymium;phenylphosphonic acid (CID 159714726) is benzene;neodymium;phenylphosphonic acid.
What is the SMILES notation for benzene;neodymium;phenylphosphonic acid?
The canonical SMILES for benzene;neodymium;phenylphosphonic acid is O=P(O)(O)c1ccccc1.[Nd].[c-]1ccccc1.
What is the InChIKey of benzene;neodymium;phenylphosphonic acid?
The InChIKey is BOIKLTRHCTVFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3P.C6H5.Nd/c7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H2,7,8,9);1-5H;/q;-1;.
What are the key properties of benzene;neodymium;phenylphosphonic acid?
benzene;neodymium;phenylphosphonic acid has a molecular weight of 379.44 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;neodymium;phenylphosphonic acid is sourced from PubChem (CID 159714726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).