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138280-22-5 | Ethanone, 2-bromo-1-(3,3-dimethyl-1-piperidinyl)-
CAS No: 138280-22-5 Catalog No: AG0018GD MDL No:
Product Description
Catalog Number:
AG0018GD
Chemical Name:
Ethanone, 2-bromo-1-(3,3-dimethyl-1-piperidinyl)-
CAS Number:
138280-22-5
Molecular Formula:
C9H16BrNO
Molecular Weight:
234.1334
IUPAC Name:
2-bromo-1-(3,3-dimethylpiperidin-1-yl)ethanone
InChI:
InChI=1S/C9H16BrNO/c1-9(2)4-3-5-11(7-9)8(12)6-10/h3-7H2,1-2H3
InChI Key:
NYSFZKXOXDNBRM-UHFFFAOYSA-N
SMILES:
BrCC(=O)N1CCCC(C1)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.137g/mol
Monoisotopic Mass:
233.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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