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Home > Fluorides > 116045-00-2
116045-00-2 | Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester (9CI)
CAS No: 116045-00-2 Catalog No: AG000BGO MDL No:
Product Description
Catalog Number:
AG000BGO
Chemical Name:
Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester (9CI)
CAS Number:
116045-00-2
Molecular Formula:
C12H15FNO4P
Molecular Weight:
287.2240
IUPAC Name:
2-(diethoxyphosphorylmethyl)-7-fluoro-1,3-benzoxazole
InChI:
InChI=1S/C12H15FNO4P/c1-3-16-19(15,17-4-2)8-11-14-10-7-5-6-9(13)12(10)18-11/h5-7H,3-4,8H2,1-2H3
InChI Key:
SWPDOGWSWQYWHD-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1nc2c(o1)c(F)ccc2)OCC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.227g/mol
Monoisotopic Mass:
287.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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