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89102-65-8 | Phosphonic acid, [[5-(phenylmethyl)-2-oxazolyl]methyl]-, diethyl ester
CAS No: 89102-65-8 Catalog No: AG003ZM1 MDL No:
Product Description
Catalog Number:
AG003ZM1
Chemical Name:
Phosphonic acid, [[5-(phenylmethyl)-2-oxazolyl]methyl]-, diethyl ester
CAS Number:
89102-65-8
Molecular Formula:
C15H20NO4P
Molecular Weight:
309.2974
IUPAC Name:
5-benzyl-2-(diethoxyphosphorylmethyl)-1,3-oxazole
InChI:
InChI=1S/C15H20NO4P/c1-3-18-21(17,19-4-2)12-15-16-11-14(20-15)10-13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3
InChI Key:
LHNDZSRPHXMDAP-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ncc(o1)Cc1ccccc1)OCC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.302g/mol
Monoisotopic Mass:
309.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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