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84613-64-9 | Phosphonic acid, (2-methylphenyl)-, mono(2-ethylhexyl) ester
CAS No: 84613-64-9 Catalog No: AG004Q32 MDL No:
Product Description
Catalog Number:
AG004Q32
Chemical Name:
Phosphonic acid, (2-methylphenyl)-, mono(2-ethylhexyl) ester
CAS Number:
84613-64-9
Molecular Formula:
C15H24O3P-
Molecular Weight:
283.3230
IUPAC Name:
2-ethylhexoxy-(2-methylphenyl)phosphinate
InChI:
InChI=1S/C15H25O3P/c1-4-6-10-14(5-2)12-18-19(16,17)15-11-8-7-9-13(15)3/h7-9,11,14H,4-6,10,12H2,1-3H3,(H,16,17)/p-1
InChI Key:
FMZWXKFUTBJLCX-UHFFFAOYSA-M
SMILES:
CCCCC(COP(=O)(c1ccccc1C)[O-])CC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.146g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.328g/mol
Monoisotopic Mass:
283.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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