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23438-05-3 | 4-Heptanone, 3,5-dibromo-2,2,6,6-tetramethyl-
CAS No: 23438-05-3 Catalog No: AG002N8K MDL No:
Product Description
Catalog Number:
AG002N8K
Chemical Name:
4-Heptanone, 3,5-dibromo-2,2,6,6-tetramethyl-
CAS Number:
23438-05-3
Molecular Formula:
C11H20Br2O
Molecular Weight:
328.0839
IUPAC Name:
3,5-dibromo-2,2,6,6-tetramethylheptan-4-one
InChI:
InChI=1S/C11H20Br2O/c1-10(2,3)8(12)7(14)9(13)11(4,5)6/h8-9H,1-6H3
InChI Key:
DPQNJTSTJKBEQO-UHFFFAOYSA-N
SMILES:
BrC(C(C)(C)C)C(=O)C(C(C)(C)C)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.088g/mol
Monoisotopic Mass:
325.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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