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30957-25-6 | 4-Heptanone, 3,5-dibromo-2,6-dimethyl-
CAS No: 30957-25-6 Catalog No: AG0031R1 MDL No:
Product Description
Catalog Number:
AG0031R1
Chemical Name:
4-Heptanone, 3,5-dibromo-2,6-dimethyl-
CAS Number:
30957-25-6
Molecular Formula:
C9H16Br2O
Molecular Weight:
300.0307
IUPAC Name:
3,5-dibromo-2,6-dimethylheptan-4-one
InChI:
InChI=1S/C9H16Br2O/c1-5(2)7(10)9(12)8(11)6(3)4/h5-8H,1-4H3
InChI Key:
GQBBHKNQKIAYJT-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C(C(C)C)Br)C(C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.955g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.034g/mol
Monoisotopic Mass:
297.957g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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