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26228-95-5 | 2-Piperidinone, 3,3-dibromo-
CAS No: 26228-95-5 Catalog No: AG002SCK MDL No:MFCD28991876
Product Description
Catalog Number:
AG002SCK
Chemical Name:
2-Piperidinone, 3,3-dibromo-
CAS Number:
26228-95-5
Molecular Formula:
C5H7Br2NO
Molecular Weight:
256.9232
MDL Number:
MFCD28991876
IUPAC Name:
3,3-dibromopiperidin-2-one
InChI:
InChI=1S/C5H7Br2NO/c6-5(7)2-1-3-8-4(5)9/h1-3H2,(H,8,9)
InChI Key:
YKKWDHCNKKHPCD-UHFFFAOYSA-N
SMILES:
O=C1NCCCC1(Br)Br
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.887g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.925g/mol
Monoisotopic Mass:
254.889g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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