Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate

CAS

32679-02-0

Catalog Number

ACM32679020

Category

Organic Phosphine Compounds

Molecular Weight

379.999g/mol

Molecular Formula

C12H18BF4N2Rh-;

MSDS COA Spec Sheet

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Specification

Synonyms

[rh(cod)(mecn)2]bf4; J-018832; AKOS016006206; bis(acetonitrile) (1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate; Bis(acetonitrile)(1,5-cyclooctadiene) Rhodium(1) tetrafluoroborate; DTXSID60456403; ST24046183;

IUPAC Name

acetonitrile;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate;

Canonical SMILES

[B-](F)(F)(F)F.CC#N.CC#N.C1CC=CCCC=C1.[Rh];

InChI

InChI=1S/C8H12.2C2H3N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-3;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*1H3;;/q;;;-1;/b2-1-,8-7-;;;;;

InChI Key

ZIBLHOBPBGAKNV-SUESZSCISA-N;

Complexity

121

Covalently-Bonded Unit Count

Defined Bond Stereocenter Count

Exact Mass

380.055g/mol

Formal Charge

-1

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

380.055g/mol

Topological Polar Surface Area

47.6A^2

December 15, 2022

Great features
I used the reagent and it is very good.

What is the molecular formula of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The molecular formula is C12H18BF4N2Rh.

What is the molecular weight of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The molecular weight is 380.00 g/mol.

What are the synonyms of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The synonyms are 32679-02-0, Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate [rh(cod)(mecn)2]bf4, bis(acetonitrile)(1,5-cyclooctadiene)rhodium(i) tetrafluoroborate, Bis(acetonitrile)(1,5-cyclooctadiene) Rhodium(1) tetrafluoroborate.

What are the component compounds of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The component compounds are Acetonitrile (CID 6342), Rhodium (CID 23948), Tetrafluoroborate (CID 26255), 1,5-Cyclooctadiene (CID 82916).

What is the CAS number of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The CAS number is 32679-02-0.

What is the IUPAC name of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The IUPAC name is acetonitrile;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate.

What is the InChI of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The InChI is InChI=1S/C8H12.2C2H3N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-3;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*1H3;;/q;;;-1;/b2-1-,8-7-;;;;.

What is the InChIKey of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The InChIKey is ZIBLHOBPBGAKNV-SUESZSCISA-N.

What is the canonical SMILES of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The canonical SMILES is [B-](F)(F)(F)F.CC#N.CC#N.C1CC=CCCC=C1.[Rh].

What are the computed properties of Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate?

The computed properties include molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound is canonicalized.