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1779128-13-0 | 2-(3-Fluorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one dihydrochloride
CAS No: 1779128-13-0 Catalog No: AG01F4VG MDL No:
Product Description
Catalog Number:
AG01F4VG
Chemical Name:
2-(3-Fluorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one dihydrochloride
CAS Number:
1779128-13-0
Molecular Formula:
C13H16Cl2FN3O
Molecular Weight:
320.1900
IUPAC Name:
2-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
InChI:
InChI=1S/C13H14FN3O.2ClH/c14-10-3-1-2-9(8-10)11-16-12(18)13(17-11)4-6-15-7-5-13;;/h1-3,8,15H,4-7H2,(H,16,17,18);2*1H
InChI Key:
STRHOGRCGCNVHY-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C1=NC2(C(=O)N1)CCNCC2.Cl.Cl
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
320.189g/mol
Monoisotopic Mass:
319.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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