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301224-40-8

301224-40-8 | Hoveyda-Grubbs Catalyst 2nd Generation

CAS No: 301224-40-8 Catalog No: AG003504 MDL No:MFCD03701614

Product Description

Catalog Number:
AG003504
Chemical Name:
Hoveyda-Grubbs Catalyst 2nd Generation
CAS Number:
301224-40-8
Molecular Formula:
C31H38Cl2N2ORu
Molecular Weight:
626.6222
MDL Number:
MFCD03701614
IUPAC Name:
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
InChI:
InChI=1S/C21H26N2.C10H12O.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8H2,1-6H3;3-8H,1-2H3;2*1H;/q;;;;+2/p-2
InChI Key:
ZRPFJAPZDXQHSM-UHFFFAOYSA-L
SMILES:
CC(Oc1ccccc1C=[Ru](=C1N(CCN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)(Cl)Cl)C
EC Number:
608-446-3

Properties

Complexity:
828  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.14g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
626.628g/mol
Monoisotopic Mass:
626.14g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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