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15547-02-1

15547-02-1 | Phosphonic acid, 2-ethylhexyl phenyl ester

CAS No: 15547-02-1 Catalog No: AG001NY0 MDL No:

Product Description

Catalog Number:
AG001NY0
Chemical Name:
Phosphonic acid, 2-ethylhexyl phenyl ester
CAS Number:
15547-02-1
Molecular Formula:
C14H23O3P
Molecular Weight:
270.3044
IUPAC Name:
2-ethylhexoxy-oxo-phenoxyphosphanium
InChI:
InChI=1S/C14H22O3P/c1-3-5-9-13(4-2)12-16-18(15)17-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3/q+1
InChI Key:
ZVZGDCZUGWXFFI-UHFFFAOYSA-N
SMILES:
CCCCC(COP(=O)Oc1ccccc1)CC

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.131g/mol
Formal Charge:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.301g/mol
Monoisotopic Mass:
269.131g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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