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Home > Fluorides > 648920-91-6
648920-91-6 | 1,4-Dioxa-8-azaspiro[4.5]decane, 8-(2-fluoro-4-nitrophenyl)-6-methyl-
CAS No: 648920-91-6 Catalog No: AG006R8D MDL No:
Product Description
Catalog Number:
AG006R8D
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane, 8-(2-fluoro-4-nitrophenyl)-6-methyl-
CAS Number:
648920-91-6
Molecular Formula:
C14H17FN2O4
Molecular Weight:
296.2942
IUPAC Name:
8-(2-fluoro-4-nitrophenyl)-6-methyl-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C14H17FN2O4/c1-10-9-16(5-4-14(10)20-6-7-21-14)13-3-2-11(17(18)19)8-12(13)15/h2-3,8,10H,4-7,9H2,1H3
InChI Key:
ITCGIFXGMSGXGR-UHFFFAOYSA-N
SMILES:
CC1CN(CCC21OCCO2)c1ccc(cc1F)[N+](=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.298g/mol
Monoisotopic Mass:
296.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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