Home Other Building Blocks 2-Bromo-5,5-dimethyl-1,3-cyclohexanedione

2-Bromo-5,5-dimethyl-1,3-cyclohexanedione

CAS No.:
1195-91-1
Catalog Number:
AG000IW9
Molecular Formula:
C8H11BrO2
Molecular Weight:
219.0757
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$114
- +
1g
98%
1 week
United States
$191
- +
5g
98%
1 week
United States
$496
- +
Product Description
Catalog Number:
AG000IW9
Chemical Name:
2-Bromo-5,5-dimethyl-1,3-cyclohexanedione
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  
Properties