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Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H5.Cl.Zr.H
Molecular Weight 257.871
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZIRCONOCENE CHLORIDE HYDRIDE

SMILES

[H-].[Cl-].[Zr+4].[CH-]1C=CC=C1.[CH-]2C=CC=C2

InChI

InChIKey=NKIVVMOIGINFTB-UHFFFAOYSA-M
InChI=1S/2C5H5.ClH.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-5H;1H;;/q2*-1;;+4;-1/p-1

HIDE SMILES / InChI

Molecular Formula H
Molecular Weight 1.0079
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Zr
Molecular Weight 91.224
Charge 4
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H5
Molecular Weight 65.0932
Charge -1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
S84D01XQGL
Record Status Validated (UNII)
Record Version