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21694-31-5 | Phosphoric acid,dimethyl 5-phenyl-3-isoxazolyl ester
CAS No: 21694-31-5 Catalog No: AG007PG7 MDL No:
Product Description
Catalog Number:
AG007PG7
Chemical Name:
Phosphoric acid,dimethyl 5-phenyl-3-isoxazolyl ester
CAS Number:
21694-31-5
Molecular Formula:
C11H12NO5P
Molecular Weight:
269.1904
IUPAC Name:
dimethyl (5-phenyl-1,2-oxazol-3-yl) phosphate
InChI:
InChI=1S/C11H12NO5P/c1-14-18(13,15-2)17-11-8-10(16-12-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
LKEFZHUOLJHKRK-UHFFFAOYSA-N
SMILES:
COP(=O)(Oc1noc(c1)c1ccccc1)OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.193g/mol
Monoisotopic Mass:
269.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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