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1683-96-1 | 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-6-fluoro-
CAS No: 1683-96-1 Catalog No: AG001Y0U MDL No:
Product Description
Catalog Number:
AG001Y0U
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-6-fluoro-
CAS Number:
1683-96-1
Molecular Formula:
C12H12FN3O2
Molecular Weight:
249.2410
IUPAC Name:
2,3,5-tris(aziridin-1-yl)-6-fluorocyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C12H12FN3O2/c13-7-8(14-1-2-14)12(18)10(16-5-6-16)9(11(7)17)15-3-4-15/h1-6H2
InChI Key:
PHOOFVBPSXCNTI-UHFFFAOYSA-N
SMILES:
FC1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)N1CC1
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.245g/mol
Monoisotopic Mass:
249.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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