CID 21243606
PubChem CID
21243606
Structure
Molecular Formula
Status
Non-live
Molecular Weight
327.8 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
2-ethylhexan-1-ol;zirconium;trichloride
InChI=1S/C8H18O.3ClH.Zr/c1-3-5-6-8(4-2)7-9;;;;/h8-9H,3-7H2,1-2H3;3*1H;/p-3
IWSZSXLQCHDDPW-UHFFFAOYSA-K
CCCCC(CC)CO.[Cl-].[Cl-].[Cl-].[Zr]
C8H18Cl3OZr-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
327.8 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
324.947022 g/mol
Property Name
Monoisotopic Mass
Property Value
324.947022 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
57.2
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
5
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS