Chlorobis(cyclooctene)rhodium(I) dimer

Catalog Number	ACM12279093-1
CAS	12279-09-3
Structure
Synonyms	Cyclooctene;rhodium;dichloride
IUPAC Name	cyclooctene;rhodium;dichloride;
Molecular Weight	717.5
Molecular Formula	C32H56Cl2Rh2
Canonical SMILES	C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.[Cl-].[Cl-].[Rh].[Rh]
InChI	InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;/h4*1-2H,3-8H2;2*1H;/p-2/b4*2-1-;
InChI Key	ZFCBAJWXKUDJSW-XFCUKONHSA-L
Melting Point	190 °C
Purity	98%+
Appearance	Orange to red crystal
Storage	Freezer
Complexity	62.1
Covalently-Bonded Unit Count	8
Defined Atom Stereocenter Count	4
Exact Mass	716.1869
Formal Charge	-2
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.[Cl-].[Cl-].[Rh].[Rh]
Monoisotopic Mass	716.1869
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų

Q&A

What is the molecular formula of Chlorobis(cyclooctene)rhodium(I) Dimer?

The molecular formula is C32H56Cl2Rh2.

What is the molecular weight of Chlorobis(cyclooctene)rhodium(I) Dimer?

The molecular weight is 717.5 g/mol.

What is the IUPAC name of Chlorobis(cyclooctene)rhodium(I) Dimer?

The IUPAC name is cyclooctene;rhodium;dichloride.

What is the InChI of Chlorobis(cyclooctene)rhodium(I) Dimer?

The InChI is InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/p-2/b4*2-1-;;;;.

What is the InChIKey of Chlorobis(cyclooctene)rhodium(I) Dimer?

The InChIKey is ZFCBAJWXKUDJSW-XFCUKONHSA-L.

What is the canonical SMILES of Chlorobis(cyclooctene)rhodium(I) Dimer?

The canonical SMILES is C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.[Cl-].[Cl-].[Rh].[Rh].

What is the isomeric SMILES of Chlorobis(cyclooctene)rhodium(I) Dimer?

The isomeric SMILES is C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.[Cl-].[Cl-].[Rh].[Rh].

What is the CAS number of Chlorobis(cyclooctene)rhodium(I) Dimer?

The CAS number is 12279-09-3.

What is the European Community (EC) number of Chlorobis(cyclooctene)rhodium(I) Dimer?

The European Community (EC) number is 623-340-7.

Is Chlorobis(cyclooctene)rhodium(I) Dimer a canonicalized compound?

Yes, Chlorobis(cyclooctene)rhodium(I) Dimer is canonicalized.

What is the IUPAC name of the compound?

The IUPAC name of the compound is cyclooctene;rhodium;dichloride.

What is the molecular weight of the compound?

The molecular weight of the compound is 717.5 g/mol.

What is the InChIKey of the compound?

The InChIKey of the compound is ZFCBAJWXKUDJSW-XFCUKONHSA-L.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.[Cl-].[Cl-].[Rh].[Rh].

What is the CAS number of the compound?

The CAS number of the compound is 12279-09-3.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass of the compound is 716.18690 g/mol.

How many heavy atoms does the compound contain?

The compound contains 36 heavy atoms.

Is the compound canonicalized?

Yes, the compound is canonicalized.