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1272755-88-0 | 5,8-Diazaspiro[3.4]octan-6-one, 7-(3-bromo-4-fluorophenyl)-
CAS No: 1272755-88-0 Catalog No: AG000WUD MDL No:MFCD18651752
Product Description
Catalog Number:
AG000WUD
Chemical Name:
5,8-Diazaspiro[3.4]octan-6-one, 7-(3-bromo-4-fluorophenyl)-
CAS Number:
1272755-88-0
Molecular Formula:
C12H12BrFN2O
Molecular Weight:
299.1389
MDL Number:
MFCD18651752
IUPAC Name:
6-(3-bromo-4-fluorophenyl)-5,8-diazaspiro[3.4]octan-7-one
InChI:
InChI=1S/C12H12BrFN2O/c13-8-6-7(2-3-9(8)14)10-11(17)16-12(15-10)4-1-5-12/h2-3,6,10,15H,1,4-5H2,(H,16,17)
InChI Key:
NFHBOWYZRDVZLI-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1ccc(c(c1)Br)F)CCC2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.143g/mol
Monoisotopic Mass:
298.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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