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Home > Bromides > 1272755-95-9
1272755-95-9 | 5,8-Diazaspiro[3.4]octan-6-one, 7-(2-bromophenyl)-
CAS No: 1272755-95-9 Catalog No: AG000WU6 MDL No:MFCD18651751
Product Description
Catalog Number:
AG000WU6
Chemical Name:
5,8-Diazaspiro[3.4]octan-6-one, 7-(2-bromophenyl)-
CAS Number:
1272755-95-9
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
MDL Number:
MFCD18651751
IUPAC Name:
6-(2-bromophenyl)-5,8-diazaspiro[3.4]octan-7-one
InChI:
InChI=1S/C12H13BrN2O/c13-9-5-2-1-4-8(9)10-11(16)15-12(14-10)6-3-7-12/h1-2,4-5,10,14H,3,6-7H2,(H,15,16)
InChI Key:
YWALYYPONWEPGA-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1ccccc1Br)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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