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Dibenzyl Hydrogen Phosphate

CAT: 0572-TRC-D417720-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D417720-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
538-60-3
Hazard Statement
Highly flammable liquid and vapour; UN number: UN3279; Packing Group: II
Smiles
O=P(OCc1ccccc1)OCc2ccccc2
Molecular Formula
C14 H15 O3 P
Molecular Weight
262.24
InChI
InChI=1S/C14H15O3P/c15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,18H,11-12H2
Additionnal Information
IUPAC name: phenylmethoxyphosphonoyloxymethylbenzene
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

Dibenzyl hydrogen phosphite
CAS Number538-60-3
PubChem CID241857
IUPAC Namedibenzyl hydrogen phosphite
Molecular FormulaC14H15O3P
Molecular Weight262.24
XLogP2.5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity191
SMILES
C1=CC=C(C=C1)COP(O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H15O3P/c15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey
DYUGVWSETOTNKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzyl hydrogen phosphite
CAS: 538-60-3
CID: 241857
Formula: C14H15O3P
MW: 262.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight262.24
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass262.07588133
Monoisotopic Mass262.07588133
Topological Polar Surface Area38.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity191
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