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16110-80-8 | Cyclooctanone, 2,8-dibromo-, trans- (8CI,9CI)
CAS No: 16110-80-8 Catalog No: AG001S6J MDL No:MFCD28118472
Product Description
Catalog Number:
AG001S6J
Chemical Name:
Cyclooctanone, 2,8-dibromo-, trans- (8CI,9CI)
CAS Number:
16110-80-8
Molecular Formula:
C8H12Br2O
Molecular Weight:
283.9883
MDL Number:
MFCD28118472
IUPAC Name:
(2S,8S)-2,8-dibromocyclooctan-1-one
InChI:
InChI=1S/C8H12Br2O/c9-6-4-2-1-3-5-7(10)8(6)11/h6-7H,1-5H2/t6-,7-/m0/s1
InChI Key:
LRXMGJWCLZETQE-BQBZGAKWSA-N
SMILES:
O=C1[C@@H](Br)CCCCC[C@@H]1Br
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
283.923g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.991g/mol
Monoisotopic Mass:
281.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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