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Tris (2-Nonylphenyl) -Phosphite

CAT: 1596-AR-P31405-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31405-01Size:10 Units
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CAS Number
16784-72-8
Synonyms
Tris (2-nonylphenyl) phosphite
Molecular Formula
C45H69O3P
Molecular Weight
689.02
API Name
Phosphate

Chemical Information

Tri(o-nonylphenyl) phosphite
CAS Number16784-72-8
PubChem CID85595
IUPAC Nametris(2-nonylphenyl) phosphite
Molecular FormulaC45H69O3P
Molecular Weight689.0
XLogP19.3
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Heavy Atom Count49
Formal Charge0
Complexity637
SMILES
CCCCCCCCCC1=CC=CC=C1OP(OC2=CC=CC=C2CCCCCCCCC)OC3=CC=CC=C3CCCCCCCCC
InChI
InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3/h25-30,34-39H,4-24,31-33H2,1-3H3
InChIKey
WGKLOLBTFWFKOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tri(o-nonylphenyl) phosphite
CAS: 16784-72-8
CID: 85595
Formula: C45H69O3P
MW: 689.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight689.0
XLogP319.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Exact Mass688.49843306
Monoisotopic Mass688.49843306
Topological Polar Surface Area27.7 Ų
Heavy Atom Count49
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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