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2-Ethylhexyl Diphenyl Phosphate

CAT: 1596-AR-M02927-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02927-01Size:10 Units
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CAS Number
1241-94-7
Molecular Formula
C20H27O4P

Chemical Information

2-Ethylhexyl diphenyl phosphate

Octicizer is an aryl phosphate.

CAS Number1241-94-7
PubChem CID14716
IUPAC Name2-ethylhexyl diphenyl phosphate
Molecular FormulaC20H27O4P
Molecular Weight362.4
XLogP6.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity365
SMILES
CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKey
CGSLYBDCEGBZCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl diphenyl phosphate
CAS: 1241-94-7
CID: 14716
Formula: C20H27O4P
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass362.16469634
Monoisotopic Mass362.16469634
Topological Polar Surface Area44.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes