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Home > Fluorides > 1707580-74-2
1707580-74-2 | 2-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CAS No: 1707580-74-2 Catalog No: AG01F7SQ MDL No:
Product Description
Catalog Number:
AG01F7SQ
Chemical Name:
2-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CAS Number:
1707580-74-2
Molecular Formula:
C13H14FN3O
Molecular Weight:
247.2682
IUPAC Name:
2-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
InChI:
InChI=1S/C13H14FN3O/c14-10-3-1-9(2-4-10)11-16-12(18)13(17-11)5-7-15-8-6-13/h1-4,15H,5-8H2,(H,16,17,18)
InChI Key:
IGAKKLUBDXRWOO-UHFFFAOYSA-N
SMILES:
O=C1NC(=NC21CCNCC2)c1ccc(cc1)F
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.273g/mol
Monoisotopic Mass:
247.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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