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2-(Diphenylphosphinylmethyl)phenol

CAT: 0572-TRC-D701275-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D701275-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70127-50-3
Synonyms
2-[(Diphenylphosphinyl)methyl]phenol
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1ccccc1CP(=O)(c2ccccc2)c3ccccc3
Molecular Formula
C19H17O2P
Molecular Weight
308.31
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-((Diphenylphosphoroso)methyl)phenol
CAS Number70127-50-3
PubChem CID796918
IUPAC Name2-(diphenylphosphorylmethyl)phenol
Molecular FormulaC19H17O2P
Molecular Weight308.3
XLogP3.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity361
SMILES
C1=CC=C(C=C1)P(=O)(CC2=CC=CC=C2O)C3=CC=CC=C3
InChI
InChI=1S/C19H17O2P/c20-19-14-8-7-9-16(19)15-22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,20H,15H2
InChIKey
NQWHOPCJTGVYOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((Diphenylphosphoroso)methyl)phenol
CAS: 70127-50-3
CID: 796918
Formula: C19H17O2P
MW: 308.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.3
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass308.09661678
Monoisotopic Mass308.09661678
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity361
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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