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Home > Bromides > 1272755-85-7
1272755-85-7 | 1,4-Diazaspiro[4.4]nonan-2-one, 3-(3-bromophenyl)-
CAS No: 1272755-85-7 Catalog No: AG000WUG MDL No:MFCD18651738
Product Description
Catalog Number:
AG000WUG
Chemical Name:
1,4-Diazaspiro[4.4]nonan-2-one, 3-(3-bromophenyl)-
CAS Number:
1272755-85-7
Molecular Formula:
C13H15BrN2O
Molecular Weight:
295.1750
MDL Number:
MFCD18651738
IUPAC Name:
2-(3-bromophenyl)-1,4-diazaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C13H15BrN2O/c14-10-5-3-4-9(8-10)11-12(17)16-13(15-11)6-1-2-7-13/h3-5,8,11,15H,1-2,6-7H2,(H,16,17)
InChI Key:
BOOFRKQRROOKSN-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1cccc(c1)Br)CCCC2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.18g/mol
Monoisotopic Mass:
294.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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