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16080-74-3 | Cyclohexanone, 2,6-dibromo-, (2R,6R)-rel-
CAS No: 16080-74-3 Catalog No: AG001VDO MDL No:
Product Description
Catalog Number:
AG001VDO
Chemical Name:
Cyclohexanone, 2,6-dibromo-, (2R,6R)-rel-
CAS Number:
16080-74-3
Molecular Formula:
C6H8Br2O
Molecular Weight:
255.9351
IUPAC Name:
(2S,6S)-2,6-dibromocyclohexan-1-one
InChI:
InChI=1S/C6H8Br2O/c7-4-2-1-3-5(8)6(4)9/h4-5H,1-3H2/t4-,5-/m0/s1
InChI Key:
MDHTXSRMTCJEBR-WHFBIAKZSA-N
SMILES:
O=C1[C@H](Br)CCC[C@H]1Br
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
255.892g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.937g/mol
Monoisotopic Mass:
253.894g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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