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Home > Fluorides > 914637-75-5
914637-75-5 | 8-(4-Fluoro-2-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CAS No: 914637-75-5 Catalog No: AG01EZ29 MDL No:
Product Description
Catalog Number:
AG01EZ29
Chemical Name:
8-(4-Fluoro-2-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CAS Number:
914637-75-5
Molecular Formula:
C13H15FN2O4
Molecular Weight:
282.2676
IUPAC Name:
8-(4-fluoro-2-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C13H15FN2O4/c14-10-1-2-11(12(9-10)16(17)18)15-5-3-13(4-6-15)19-7-8-20-13/h1-2,9H,3-8H2
InChI Key:
TXKXIHNFJVOLGL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])N1CCC2(CC1)OCCO2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.271g/mol
Monoisotopic Mass:
282.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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