CID 173153802

C22H22Br2F2SiZr — CID 173153802

IUPAC—
SMILESC[Si]C.Cc1cc2c(Br)cccc2[cH-]1.Cc1cc2c(Br)cccc2[cH-]1.F[Zr+2]F
InChIInChI=1S/2C10H8Br.C2H6Si.2FH.Zr/c2*1-7-5-8-3-2-4-10(11)9(8)6-7;1-3-2;;;/h2*2-6H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyWCLGLHFJZGBNIC-UHFFFAOYSA-L
MW603.53 g/mol
LogP8.88
Rot. Bonds

About CID 173153802

CID 173153802 (PubChem CID 173153802) has the molecular formula C22H22Br2F2SiZr and a molecular weight of 603.53 g/mol.

Molecular Properties

Compound NameCID 173153802
PubChem CID173153802
Molecular FormulaC22H22Br2F2SiZr
Molecular Weight603.53 g/mol
Exact Mass599.89
IUPAC Name—
SMILESC[Si]C.Cc1cc2c(Br)cccc2[cH-]1.Cc1cc2c(Br)cccc2[cH-]1.F[Zr+2]F
InChIInChI=1S/2C10H8Br.C2H6Si.2FH.Zr/c2*1-7-5-8-3-2-4-10(11)9(8)6-7;1-3-2;;;/h2*2-6H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyWCLGLHFJZGBNIC-UHFFFAOYSA-L
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.53
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173192664
CID 173192664
CID 173192694
CID 173192694
CID 173192459
CID 173192459
CID 173241804
CID 173241804
CID 173192555
CID 173192555
CID 173192554
CID 173192554
CID 159391695
CID 159391695
dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
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CID 173178834
CID 173178834

Frequently Asked Questions

What is the IUPAC name of CID 173153802?
The IUPAC name of CID 173153802 (CID 173153802) is not available.
What is the SMILES notation for CID 173153802?
The canonical SMILES for CID 173153802 is C[Si]C.Cc1cc2c(Br)cccc2[cH-]1.Cc1cc2c(Br)cccc2[cH-]1.F[Zr+2]F.
What is the InChIKey of CID 173153802?
The InChIKey is WCLGLHFJZGBNIC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8Br.C2H6Si.2FH.Zr/c2*1-7-5-8-3-2-4-10(11)9(8)6-7;1-3-2;;;/h2*2-6H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173153802?
CID 173153802 has a molecular weight of 603.53 g/mol, XLogP of 8.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173153802 is sourced from PubChem (CID 173153802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).