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88176-25-4 | 1,3-Cyclohexanedione, 5-(3-bromo-2,4,6-trimethylphenyl)-
CAS No: 88176-25-4 Catalog No: AG004CMZ MDL No:
Product Description
Catalog Number:
AG004CMZ
Chemical Name:
1,3-Cyclohexanedione, 5-(3-bromo-2,4,6-trimethylphenyl)-
CAS Number:
88176-25-4
Molecular Formula:
C15H17BrO2
Molecular Weight:
309.1983
IUPAC Name:
5-(3-bromo-2,4,6-trimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C15H17BrO2/c1-8-4-9(2)15(16)10(3)14(8)11-5-12(17)7-13(18)6-11/h4,11H,5-7H2,1-3H3
InChI Key:
SYRWLFRVFVUOHF-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1c(C)cc(c(c1C)Br)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.203g/mol
Monoisotopic Mass:
308.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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