benzene;chlorotitanium(3+)

C18H15ClTi — CID 18688483

IUPACbenzene;chlorotitanium(3+)
SMILESCl[Ti+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.ClH.Ti/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q3*-1;;+4/p-1
InChIKeyQRVMPRKLBFRHEO-UHFFFAOYSA-M
MW314.64 g/mol
LogP5.15
Rot. Bonds

About benzene;chlorotitanium(3+)

benzene;chlorotitanium(3+) (PubChem CID 18688483) has the molecular formula C18H15ClTi and a molecular weight of 314.64 g/mol. Its IUPAC name is benzene;chlorotitanium(3+).

Molecular Properties

Compound Namebenzene;chlorotitanium(3+)
PubChem CID18688483
Molecular FormulaC18H15ClTi
Molecular Weight314.64 g/mol
Exact Mass314.03
IUPAC Namebenzene;chlorotitanium(3+)
SMILESCl[Ti+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.ClH.Ti/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q3*-1;;+4/p-1
InChIKeyQRVMPRKLBFRHEO-UHFFFAOYSA-M
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.15
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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Related Compounds

Diphenyltitanium dichloride
CID 12642478
Diphenyltitanium
CID 12950957
Tetraphenyltitanium
CID 13792723
Triphenylyttrium
CID 21049859
Triphenylchromium
CID 22260027
Triphenylmolybdenum
CID 129665689
Benzene;erbium(3+)
CID 14361992
Triphenyl-ytterbium
CID 14361993
Triphenylscandium
CID 86205481
Benzene;thulium(3+)
CID 134903028
Bromochlorotriphenyl stannate
CID 76962974
Benzene;cerium(3+)
CID 14099383

Frequently Asked Questions

What is the IUPAC name of benzene;chlorotitanium(3+)?
The IUPAC name of benzene;chlorotitanium(3+) (CID 18688483) is benzene;chlorotitanium(3+).
What is the SMILES notation for benzene;chlorotitanium(3+)?
The canonical SMILES for benzene;chlorotitanium(3+) is Cl[Ti+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;chlorotitanium(3+)?
The InChIKey is QRVMPRKLBFRHEO-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.ClH.Ti/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q3*-1;;+4/p-1.
What are the key properties of benzene;chlorotitanium(3+)?
benzene;chlorotitanium(3+) has a molecular weight of 314.64 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chlorotitanium(3+) is sourced from PubChem (CID 18688483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).