dichlorozirconium;2,7-dimethyl-9H-fluorene

C15H14Cl2Zr — CID 174320466

IUPACdichlorozirconium;2,7-dimethyl-9H-fluorene
SMILESCc1ccc2c(c1)Cc1cc(C)ccc1-2.Cl[Zr]Cl
InChIInChI=1S/C15H14.2ClH.Zr/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;;;/h3-8H,9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyQOCOTJRBYMOIHK-UHFFFAOYSA-L
MW356.41 g/mol
LogP5.25
Rot. Bonds

About dichlorozirconium;2,7-dimethyl-9H-fluorene

dichlorozirconium;2,7-dimethyl-9H-fluorene (PubChem CID 174320466) has the molecular formula C15H14Cl2Zr and a molecular weight of 356.41 g/mol. Its IUPAC name is dichlorozirconium;2,7-dimethyl-9H-fluorene.

Molecular Properties

Compound Namedichlorozirconium;2,7-dimethyl-9H-fluorene
PubChem CID174320466
Molecular FormulaC15H14Cl2Zr
Molecular Weight356.41 g/mol
Exact Mass353.95
IUPAC Namedichlorozirconium;2,7-dimethyl-9H-fluorene
SMILESCc1ccc2c(c1)Cc1cc(C)ccc1-2.Cl[Zr]Cl
InChIInChI=1S/C15H14.2ClH.Zr/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;;;/h3-8H,9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyQOCOTJRBYMOIHK-UHFFFAOYSA-L
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.41
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2,7-dimethyl-9H-fluorene?
The IUPAC name of dichlorozirconium;2,7-dimethyl-9H-fluorene (CID 174320466) is dichlorozirconium;2,7-dimethyl-9H-fluorene.
What is the SMILES notation for dichlorozirconium;2,7-dimethyl-9H-fluorene?
The canonical SMILES for dichlorozirconium;2,7-dimethyl-9H-fluorene is Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2,7-dimethyl-9H-fluorene?
The InChIKey is QOCOTJRBYMOIHK-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H14.2ClH.Zr/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;;;/h3-8H,9H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2,7-dimethyl-9H-fluorene?
dichlorozirconium;2,7-dimethyl-9H-fluorene has a molecular weight of 356.41 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2,7-dimethyl-9H-fluorene is sourced from PubChem (CID 174320466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).