dichlorozirconium;2,3-dimethyl-1H-indene

C11H12Cl2Zr — CID 174258147

IUPACdichlorozirconium;2,3-dimethyl-1H-indene
SMILESCC1=C(C)c2ccccc2C1.Cl[Zr]Cl
InChIInChI=1S/C11H12.2ClH.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;;;/h3-6H,7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyKAQBBTSYKVRCBC-UHFFFAOYSA-L
MW306.35 g/mol
LogP4.41
Rot. Bonds

About dichlorozirconium;2,3-dimethyl-1H-indene

dichlorozirconium;2,3-dimethyl-1H-indene (PubChem CID 174258147) has the molecular formula C11H12Cl2Zr and a molecular weight of 306.35 g/mol. Its IUPAC name is dichlorozirconium;2,3-dimethyl-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;2,3-dimethyl-1H-indene
PubChem CID174258147
Molecular FormulaC11H12Cl2Zr
Molecular Weight306.35 g/mol
Exact Mass303.94
IUPAC Namedichlorozirconium;2,3-dimethyl-1H-indene
SMILESCC1=C(C)c2ccccc2C1.Cl[Zr]Cl
InChIInChI=1S/C11H12.2ClH.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;;;/h3-6H,7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyKAQBBTSYKVRCBC-UHFFFAOYSA-L
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-1H-indene;ethane
CID 54108652
lithium;2,3-dimethyl-1H-indene;hydride
CID 174422478
3-methyl-1H-indene-2-carbonitrile
CID 2753059
2,3-dimethyl-6-phenyl-1H-indene
CID 173147949
2-methyl-3-[2-(2-methyl-3H-inden-1-yl)propan-2-yl]-1H-indene
CID 18369858
9H-fluorene;sulfane;hydrate
CID 159057499
dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene
CID 140968918
9H-fluorene;trihydrofluoride
CID 172854917
azane;hexakis(9H-fluorene)
CID 158472914
cadmium;9H-fluorene
CID 175337736
chromium;9H-fluorene
CID 161167703
3-[(Z)-but-2-en-2-yl]-2-methyl-1H-indene
CID 142104556

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2,3-dimethyl-1H-indene?
The IUPAC name of dichlorozirconium;2,3-dimethyl-1H-indene (CID 174258147) is dichlorozirconium;2,3-dimethyl-1H-indene.
What is the SMILES notation for dichlorozirconium;2,3-dimethyl-1H-indene?
The canonical SMILES for dichlorozirconium;2,3-dimethyl-1H-indene is CC1=C(C)c2ccccc2C1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2,3-dimethyl-1H-indene?
The InChIKey is KAQBBTSYKVRCBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H12.2ClH.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;;;/h3-6H,7H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2,3-dimethyl-1H-indene?
dichlorozirconium;2,3-dimethyl-1H-indene has a molecular weight of 306.35 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2,3-dimethyl-1H-indene is sourced from PubChem (CID 174258147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).