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53575-08-9 | Diethyl (naphthalen-1-ylmethyl);phosphonate
CAS No: 53575-08-9 Catalog No: AG003PF7 MDL No:MFCD00015769
Product Description
Catalog Number:
AG003PF7
Chemical Name:
Diethyl (naphthalen-1-ylmethyl);phosphonate
CAS Number:
53575-08-9
Molecular Formula:
C15H19O3P
Molecular Weight:
278.2833
MDL Number:
MFCD00015769
IUPAC Name:
1-(diethoxyphosphorylmethyl)naphthalene
InChI:
InChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3
InChI Key:
AFNZPMQIKMSUTD-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cccc2c1cccc2)OCC
NSC Number:
404293
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.288g/mol
Monoisotopic Mass:
278.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Bis[(para-methoxy)benzyl] phosphonate prodrugs with improved stability and enhanced cell penetration. | Bioorganic & medicinal chemistry letters 20070615 |
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