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AIDS158544,AIDS-158544,NSC670169 (HYDOBROMIDE SALT),NCI60_024628,3-Bro

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摘 要:AIDS158544,AIDS-158544,NSC670169 (HYDOBROMIDE SALT),NCI60_024628,3-Bromo-1,2,2,6,6-pentamethyl-4-piperidinone hydrobromide, 3-bromo-1,2,2,6,6-pentamethylpiperidin-4-one,Canonical SMILES: CC1(CC(=O)C(C(N1C)(C)C)Br)C,InChI: InChI=1/C10H18BrNO/c1-9(2)6-
[Synonyms]
AIDS158544
AIDS-158544
NSC670169 (HYDOBROMIDE SALT)
NCI60_024628
3-Bromo-1,2,2,6,6-pentamethyl-4-piperidinone hydrobromide

[Structure]
AIDS158544,AIDS-158544,NSC670169 (HYDOBROMIDE SALT),NCI60_024628,3-Bro

[ Properties Computed from Structure]
Molecular Weight248.16002 [g/mol]
Molecular FormulaC10H18BrNO
XLogP1.9
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count0
Tautomer Count3
Exact Mass247.057177
MonoIsotopic Mass247.057177
Topological Polar Surface Area20.3
Heavy Atom Count13
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-bromo-1,2,2,6,6-pentamethylpiperidin-4-one
Canonical SMILES: CC1(CC(=O)C(C(N1C)(C)C)Br)C
InChI: InChI=1/C10H18BrNO/c1-9(2)6-7(13)8(11)10(3,4)12(9)5/h8H,6H2,1-5H3

 
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