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26525-25-7 | Ethanone, 2,2-dibromo-1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 26525-25-7 Catalog No: AG002TKF MDL No:MFCD00181031
Product Description
Catalog Number:
AG002TKF
Chemical Name:
Ethanone, 2,2-dibromo-1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
26525-25-7
Molecular Formula:
C12H16Br2O
Molecular Weight:
336.0628
MDL Number:
MFCD00181031
IUPAC Name:
1-(1-adamantyl)-2,2-dibromoethanone
InChI:
InChI=1S/C12H16Br2O/c13-11(14)10(15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9,11H,1-6H2
InChI Key:
XDJXVMSXFQUDGZ-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C12CC3CC(C2)CC(C1)C3)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.067g/mol
Monoisotopic Mass:
333.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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