Tetrabenzylhafnium

CAT: 0926-FT171414-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FT171414-01Size:50 g

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CAS Number

31406-67-4

Smiles

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

Molecular Formula

C28H28Hf

Molecular Weight

543.01 g/mol

Controlled

Yes

Chemical Information

Tetrabenzylhafnium

CAS Number	31406-67-4
PubChem CID	4131672
IUPAC Name	hafnium(4+);methanidylbenzene
Molecular Formula	C28H28Hf
Molecular Weight	543.0
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	29
Formal Charge	0
Complexity	238

SMILES

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

InChI

InChI=1S/4C7H7.Hf/c4*1-7-5-3-2-4-6-7;/h4*2-6H,1H2;/q4*-1;+4

InChIKey

KNLGRGALOHHVOL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31406-67-4

CID: 4131672

Formula: C28H28Hf

MW: 543.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	543.0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	544.16566
Monoisotopic Mass	544.16566
Topological Polar Surface Area	0 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	238
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes