CID 173212211

C14H19Cl2NO2SiZr — CID 173212211

IUPAC—
SMILESC[Si]C.Cl[Zr+2]Cl.NC(=O)C[CH-]O.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C3H6NO2.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;4-3(6)1-2-5;1-3-2;;;/h1-7H;2,5H,1H2,(H2,4,6);1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyKCDJJSIYJKTFAR-UHFFFAOYSA-L
MW423.53 g/mol
LogP4.12
Rot. Bonds2

About CID 173212211

CID 173212211 (PubChem CID 173212211) has the molecular formula C14H19Cl2NO2SiZr and a molecular weight of 423.53 g/mol.

Molecular Properties

Compound NameCID 173212211
PubChem CID173212211
Molecular FormulaC14H19Cl2NO2SiZr
Molecular Weight423.53 g/mol
Exact Mass420.96
IUPAC Name—
SMILESC[Si]C.Cl[Zr+2]Cl.NC(=O)C[CH-]O.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C3H6NO2.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;4-3(6)1-2-5;1-3-2;;;/h1-7H;2,5H,1H2,(H2,4,6);1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyKCDJJSIYJKTFAR-UHFFFAOYSA-L
XLogP4.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173212211?
The IUPAC name of CID 173212211 (CID 173212211) is not available.
What is the SMILES notation for CID 173212211?
The canonical SMILES for CID 173212211 is C[Si]C.Cl[Zr+2]Cl.NC(=O)C[CH-]O.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173212211?
The InChIKey is KCDJJSIYJKTFAR-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C3H6NO2.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;4-3(6)1-2-5;1-3-2;;;/h1-7H;2,5H,1H2,(H2,4,6);1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173212211?
CID 173212211 has a molecular weight of 423.53 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173212211 is sourced from PubChem (CID 173212211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).