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Home > Bromides > 1272755-87-9
1272755-87-9 | 5,8-Diazaspiro[3.4]octan-6-one, 7-(3-bromophenyl)-
CAS No: 1272755-87-9 Catalog No: AG000WUE MDL No:MFCD18651748
Product Description
Catalog Number:
AG000WUE
Chemical Name:
5,8-Diazaspiro[3.4]octan-6-one, 7-(3-bromophenyl)-
CAS Number:
1272755-87-9
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
MDL Number:
MFCD18651748
IUPAC Name:
6-(3-bromophenyl)-5,8-diazaspiro[3.4]octan-7-one
InChI:
InChI=1S/C12H13BrN2O/c13-9-4-1-3-8(7-9)10-11(16)15-12(14-10)5-2-6-12/h1,3-4,7,10,14H,2,5-6H2,(H,15,16)
InChI Key:
HZSRQZQNXLVVJI-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1cccc(c1)Br)CCC2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.153g/mol
Monoisotopic Mass:
280.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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