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191470-01-6 | Phosphonic acid, (4-methylphenyl)-, bis(2-ethylhexyl) ester (9CI)
CAS No: 191470-01-6 Catalog No: AG002F9R MDL No:
Product Description
Catalog Number:
AG002F9R
Chemical Name:
Phosphonic acid, (4-methylphenyl)-, bis(2-ethylhexyl) ester (9CI)
CAS Number:
191470-01-6
Molecular Formula:
C23H41O3P
Molecular Weight:
396.5436
IUPAC Name:
1-[bis(2-ethylhexoxy)phosphoryl]-4-methylbenzene
InChI:
InChI=1S/C23H41O3P/c1-6-10-12-21(8-3)18-25-27(24,23-16-14-20(5)15-17-23)26-19-22(9-4)13-11-7-2/h14-17,21-22H,6-13,18-19H2,1-5H3
InChI Key:
GJWYASJGAKYLCK-UHFFFAOYSA-N
SMILES:
CCCCC(COP(=O)(c1ccc(cc1)C)OCC(CCCC)CC)CC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.279g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.552g/mol
Monoisotopic Mass:
396.279g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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