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77918-43-5 | Phosphonic acid, (4-phenoxyphenyl)-, diethyl ester
CAS No: 77918-43-5 Catalog No: AG005EHQ MDL No:
Product Description
Catalog Number:
AG005EHQ
Chemical Name:
Phosphonic acid, (4-phenoxyphenyl)-, diethyl ester
CAS Number:
77918-43-5
Molecular Formula:
C16H19O4P
Molecular Weight:
306.2934
IUPAC Name:
1-diethoxyphosphoryl-4-phenoxybenzene
InChI:
InChI=1S/C16H19O4P/c1-3-18-21(17,19-4-2)16-12-10-15(11-13-16)20-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChI Key:
GWRKZKPLBKOUMG-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1ccc(cc1)Oc1ccccc1)OCC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.298g/mol
Monoisotopic Mass:
306.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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