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Home > Fluorides > 116045-06-8
116045-06-8 | Benzoxazole, 2-[(diethylphosphinyl)methyl]-7-fluoro-
CAS No: 116045-06-8 Catalog No: AG000BGN MDL No:
Product Description
Catalog Number:
AG000BGN
Chemical Name:
Benzoxazole, 2-[(diethylphosphinyl)methyl]-7-fluoro-
CAS Number:
116045-06-8
Molecular Formula:
C12H15FNO2P
Molecular Weight:
255.2252
IUPAC Name:
2-(diethylphosphorylmethyl)-7-fluoro-1,3-benzoxazole
InChI:
InChI=1S/C12H15FNO2P/c1-3-17(15,4-2)8-11-14-10-7-5-6-9(13)12(10)16-11/h5-7H,3-4,8H2,1-2H3
InChI Key:
QCRSTJHRENKQMW-UHFFFAOYSA-N
SMILES:
CCP(=O)(Cc1nc2c(o1)c(F)ccc2)CC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.229g/mol
Monoisotopic Mass:
255.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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