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1195-91-1 | 1,3-Cyclohexanedione, 2-bromo-5,5-dimethyl-
CAS No: 1195-91-1 Catalog No: AG000IW9 MDL No:MFCD00092415
Product Description
Catalog Number:
AG000IW9
Chemical Name:
1,3-Cyclohexanedione, 2-bromo-5,5-dimethyl-
CAS Number:
1195-91-1
Molecular Formula:
C8H11BrO2
Molecular Weight:
219.0757
MDL Number:
MFCD00092415
IUPAC Name:
2-bromo-5,5-dimethylcyclohexane-1,3-dione
InChI:
InChI=1S/C8H11BrO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3
InChI Key:
OCXANUSFMRALNG-UHFFFAOYSA-N
SMILES:
BrC1C(=O)CC(CC1=O)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.078g/mol
Monoisotopic Mass:
217.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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