CAS
94200-27-8 Purity
96%
94200-27-8 Purity
96%
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Bis[o-(1-phenylethyl)phenyl]hydrogen phosphate
CAS
94200-30-3
Catalog Number
ACM94200303
Category
Other Products
Molecular Weight
458.485341
Molecular Formula
C28H27O4P
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Specification
Synonyms
EINECS 303-506-2, Bis(o-(1-phenylethyl)phenyl) hydrogen phosphate, 94200-30-3
IUPAC Name
bis[2-(1-phenylethyl)phenyl] hydrogen phosphate
Canonical SMILES
CC(C1=CC=CC=C1)C2=CC=CC=C2OP(=O)(O)OC3=CC=CC=C3C(C)C4=CC=CC=C4
InChI Key
OBMNOVHUTBFKEB-UHFFFAOYSA-N
Boiling Point
587.9ºC at 760mmHg
Flash Point
309.4ºC
Density
1.205g/cm³
EC Number
303-506-2
Exact Mass
458.16500
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Bis[o-(1-phenylethyl)phenyl]hydrogen phosphate?
The molecular formula is C28H27O4P.
When was the compound Bis[o-(1-phenylethyl)phenyl]hydrogen phosphate created and last modified?
The compound was created on July 11, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is bis[2-(1-phenylethyl)phenyl] hydrogen phosphate.
What is the InChIKey of Bis[o-(1-phenylethyl)phenyl]hydrogen phosphate?
The InChIKey is OBMNOVHUTBFKEB-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for Bis[o-(1-phenylethyl)phenyl]hydrogen phosphate?
The XLogP3-AA value is 7.1.
What is the topological polar surface area of the compound?
The topological polar surface area is 55.8 2.
How many rotatable bond counts does the compound have?
It has 8 rotatable bond counts.
Is the compound Canonicalized?
Yes, the compound is Canonicalized.
What is the molecular weight of Bis[o-(1-phenylethyl)phenyl]hydrogen phosphate?
The molecular weight is 458.5 g/mol.
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