bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)

C16H15BrTi — CID 19353025

IUPACbromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)
SMILESBrc1ccccc1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/C6H5Br.2C5H5.Ti/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5H;2*1-3H,4H2;/q;2*-1;+2
InChIKeyGYDDJIXNMIGXTD-UHFFFAOYSA-N
MW335.07 g/mol
LogP5.06
Rot. Bonds

About bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)

bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+) (PubChem CID 19353025) has the molecular formula C16H15BrTi and a molecular weight of 335.07 g/mol. Its IUPAC name is bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+).

Molecular Properties

Compound Namebromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)
PubChem CID19353025
Molecular FormulaC16H15BrTi
Molecular Weight335.07 g/mol
Exact Mass333.98
IUPAC Namebromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)
SMILESBrc1ccccc1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/C6H5Br.2C5H5.Ti/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5H;2*1-3H,4H2;/q;2*-1;+2
InChIKeyGYDDJIXNMIGXTD-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.07
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)?
The IUPAC name of bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+) (CID 19353025) is bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+).
What is the SMILES notation for bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)?
The canonical SMILES for bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+) is Brc1ccccc1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2].
What is the InChIKey of bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)?
The InChIKey is GYDDJIXNMIGXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.2C5H5.Ti/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5H;2*1-3H,4H2;/q;2*-1;+2.
What are the key properties of bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)?
bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+) has a molecular weight of 335.07 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+) is sourced from PubChem (CID 19353025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).