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89410-43-5 | Phosphonic acid, phenyl-, bis[4-(1,1-dimethylethyl)phenyl] ester
CAS No: 89410-43-5 Catalog No: AG004517 MDL No:
Product Description
Catalog Number:
AG004517
Chemical Name:
Phosphonic acid, phenyl-, bis[4-(1,1-dimethylethyl)phenyl] ester
CAS Number:
89410-43-5
Molecular Formula:
C26H31O3P
Molecular Weight:
422.4963
IUPAC Name:
1-tert-butyl-4-[(4-tert-butylphenoxy)-phenylphosphoryl]oxybenzene
InChI:
InChI=1S/C26H31O3P/c1-25(2,3)20-12-16-22(17-13-20)28-30(27,24-10-8-7-9-11-24)29-23-18-14-21(15-19-23)26(4,5)6/h7-19H,1-6H3
InChI Key:
QYPPIMVTOXESDD-UHFFFAOYSA-N
SMILES:
O=P(c1ccccc1)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.201g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.505g/mol
Monoisotopic Mass:
422.201g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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