phenyl hypochlorite;titanium

C6H5ClOTi — CID 87675742

IUPACphenyl hypochlorite;titanium
SMILESClOc1ccccc1.[Ti]
InChIInChI=1S/C6H5ClO.Ti/c7-8-6-4-2-1-3-5-6;/h1-5H;
InChIKeyPQINSZJBFNFKLZ-UHFFFAOYSA-N
MW176.43 g/mol
LogP2.22
Rot. Bonds1

About phenyl hypochlorite;titanium

phenyl hypochlorite;titanium (PubChem CID 87675742) has the molecular formula C6H5ClOTi and a molecular weight of 176.43 g/mol. Its IUPAC name is phenyl hypochlorite;titanium.

Molecular Properties

Compound Namephenyl hypochlorite;titanium
PubChem CID87675742
Molecular FormulaC6H5ClOTi
Molecular Weight176.43 g/mol
Exact Mass175.95
IUPAC Namephenyl hypochlorite;titanium
SMILESClOc1ccccc1.[Ti]
InChIInChI=1S/C6H5ClO.Ti/c7-8-6-4-2-1-3-5-6;/h1-5H;
InChIKeyPQINSZJBFNFKLZ-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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potassium phenoxybenzene
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CID 159259752
CID 159259752
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Frequently Asked Questions

What is the IUPAC name of phenyl hypochlorite;titanium?
The IUPAC name of phenyl hypochlorite;titanium (CID 87675742) is phenyl hypochlorite;titanium.
What is the SMILES notation for phenyl hypochlorite;titanium?
The canonical SMILES for phenyl hypochlorite;titanium is ClOc1ccccc1.[Ti].
What is the InChIKey of phenyl hypochlorite;titanium?
The InChIKey is PQINSZJBFNFKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.Ti/c7-8-6-4-2-1-3-5-6;/h1-5H;.
What are the key properties of phenyl hypochlorite;titanium?
phenyl hypochlorite;titanium has a molecular weight of 176.43 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl hypochlorite;titanium is sourced from PubChem (CID 87675742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).