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138592-59-3 | 2,5-Cyclohexadiene-1,4-dione, 2,6-dibromo-3-decyl-5-methyl-
CAS No: 138592-59-3 Catalog No: AG0018TD MDL No:
Product Description
Catalog Number:
AG0018TD
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,6-dibromo-3-decyl-5-methyl-
CAS Number:
138592-59-3
Molecular Formula:
C17H24Br2O2
Molecular Weight:
420.1793
IUPAC Name:
2,6-dibromo-3-decyl-5-methylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C17H24Br2O2/c1-3-4-5-6-7-8-9-10-11-13-15(19)17(21)14(18)12(2)16(13)20/h3-11H2,1-2H3
InChI Key:
MASASFFHJMLTCW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC1=C(Br)C(=O)C(=C(C1=O)C)Br
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.185g/mol
Monoisotopic Mass:
418.014g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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