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797763-26-9 | Phosphonic acid, [[4-(2-benzoxazolyl)phenoxy]methyl]-, diethyl ester
CAS No: 797763-26-9 Catalog No: AG008LD6 MDL No:
Product Description
Catalog Number:
AG008LD6
Chemical Name:
Phosphonic acid, [[4-(2-benzoxazolyl)phenoxy]methyl]-, diethyl ester
CAS Number:
797763-26-9
Molecular Formula:
C18H20NO5P
Molecular Weight:
361.3289
IUPAC Name:
2-[4-(diethoxyphosphorylmethoxy)phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C18H20NO5P/c1-3-22-25(20,23-4-2)13-21-15-11-9-14(10-12-15)18-19-16-7-5-6-8-17(16)24-18/h5-12H,3-4,13H2,1-2H3
InChI Key:
CSPLOEWBRRLFJY-UHFFFAOYSA-N
SMILES:
CCOP(=O)(COc1ccc(cc1)c1nc2c(o1)cccc2)OCC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.108g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.334g/mol
Monoisotopic Mass:
361.108g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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