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Dibenzyl phosphonate

CAT: 0127-OR73850-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
17176-77-1
MDL Number
MFCD00004774
Purity
95%
Smiles
O=P(OCC1=CC=CC=C1)OCC2=CC=CC=C2

Chemical Information

Dibenzyl phosphite
CAS Number17176-77-1
PubChem CID6334615
IUPAC Nameoxo-bis(phenylmethoxy)phosphanium
Molecular FormulaC14H14O3P+
Molecular Weight261.23
XLogP3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge1
Complexity221
SMILES
C1=CC=C(C=C1)CO[P+](=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H14O3P/c15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKey
RQKYHDHLEMEVDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzyl phosphite
CAS: 17176-77-1
CID: 6334615
Formula: C14H14O3P+
MW: 261.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.23
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass261.06805630
Monoisotopic Mass261.06805630
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge1
Complexity221
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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Alternative Products

CatalogName
TRC-D372880-500MGDibenzyl (Chloromethyl)phosphonate
421257-012',4'-O-Phenylmethylene Di-[O, O'- (Dibenzyl Phosphonate) ]-riboflavin
GTR19204721Succinyl phosphonate
GTR19202377Dibenzyl phthalate
FD33707-01Dibenzyl azodicarboxylate
274640-01Dibenzyl Carbonate
163751Dibenzyl Phosphite
163747Dibenzyl Adipate
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