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Diphenyl (2-ethylhexyl) phosphite

CAT: 0926-FD43678-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FD43678-01Size:0.1 Kg
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CAS Number
15647-08-2
MDL Number
MFCD00071517
Smiles
CCCCC (CC) COP (OC1=CC=CC=C1) OC2=CC=CC=C2
Molecular Formula
C20H27O3P
Molecular Weight
346.4 g/mol
Controlled
No

Chemical Information

Phosphorous acid, 2-ethylhexyl diphenyl ester
CAS Number15647-08-2
PubChem CID85888
IUPAC Name2-ethylhexyl diphenyl phosphite
Molecular FormulaC20H27O3P
Molecular Weight346.4
XLogP6.8
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity281
SMILES
CCCCC(CC)COP(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKey
XKZGIJICHCVXFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphorous acid, 2-ethylhexyl diphenyl ester
CAS: 15647-08-2
CID: 85888
Formula: C20H27O3P
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass346.16978172
Monoisotopic Mass346.16978172
Topological Polar Surface Area27.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity281
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

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