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85167-83-5 | Diethyl (isoxazol-5-ylmethyl)phosphonate
CAS No: 85167-83-5 Catalog No: AG004MXD MDL No:MFCD26143085
Product Description
Catalog Number:
AG004MXD
Chemical Name:
Diethyl (isoxazol-5-ylmethyl)phosphonate
CAS Number:
85167-83-5
Molecular Formula:
C8H14NO4P
Molecular Weight:
219.1748
MDL Number:
MFCD26143085
IUPAC Name:
5-(diethoxyphosphorylmethyl)-1,2-oxazole
InChI:
InChI=1S/C8H14NO4P/c1-3-11-14(10,12-4-2)7-8-5-6-9-13-8/h5-6H,3-4,7H2,1-2H3
InChI Key:
FQAKOJSAHJPOCA-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccno1)OCC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.177g/mol
Monoisotopic Mass:
219.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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