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

C10H10ClCr — CID 154427565

IUPACchlorochromium(2+);bis(cyclopenta-1,3-diene)
SMILESCl[Cr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.ClH.Cr/c2*1-2-4-5-3-1;;/h2*1-5H;1H;/q2*-1;;+3/p-1
InChIKeyRASWPXPYDSRMMQ-UHFFFAOYSA-M
MW217.64 g/mol
LogP3.50
Rot. Bonds

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

chlorochromium(2+);bis(cyclopenta-1,3-diene) (PubChem CID 154427565) has the molecular formula C10H10ClCr and a molecular weight of 217.64 g/mol. Its IUPAC name is chlorochromium(2+);bis(cyclopenta-1,3-diene).

Molecular Properties

Compound Namechlorochromium(2+);bis(cyclopenta-1,3-diene)
PubChem CID154427565
Molecular FormulaC10H10ClCr
Molecular Weight217.64 g/mol
Exact Mass216.99
IUPAC Namechlorochromium(2+);bis(cyclopenta-1,3-diene)
SMILESCl[Cr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.ClH.Cr/c2*1-2-4-5-3-1;;/h2*1-5H;1H;/q2*-1;;+3/p-1
InChIKeyRASWPXPYDSRMMQ-UHFFFAOYSA-M
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.64
LogP ≤ 53.50
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 chlorochromium(2+);bis(cyclopenta-1,3-diene)?
The IUPAC name of chlorochromium(2+);bis(cyclopenta-1,3-diene) (CID 154427565) is chlorochromium(2+);bis(cyclopenta-1,3-diene).
What is the SMILES notation for chlorochromium(2+);bis(cyclopenta-1,3-diene)?
The canonical SMILES for chlorochromium(2+);bis(cyclopenta-1,3-diene) is Cl[Cr+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of chlorochromium(2+);bis(cyclopenta-1,3-diene)?
The InChIKey is RASWPXPYDSRMMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.ClH.Cr/c2*1-2-4-5-3-1;;/h2*1-5H;1H;/q2*-1;;+3/p-1.
What are the key properties of chlorochromium(2+);bis(cyclopenta-1,3-diene)?
chlorochromium(2+);bis(cyclopenta-1,3-diene) has a molecular weight of 217.64 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorochromium(2+);bis(cyclopenta-1,3-diene) is sourced from PubChem (CID 154427565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).