Home Halogens 2-bromo-3,3,5-trimethylcyclohexanone

2-bromo-3,3,5-trimethylcyclohexanone

CAS No.:
5011-84-7
Catalog Number:
AG01BTWN
Molecular Formula:
C9H15BrO
Molecular Weight:
219.1188
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BTWN
Chemical Name:
2-bromo-3,3,5-trimethylcyclohexanone
CAS Number:
5011-84-7
Molecular Formula:
C9H15BrO
Molecular Weight:
219.1188
MDL Number:
MFCD24652833
IUPAC Name:
2-bromo-3,3,5-trimethylcyclohexan-1-one
InChI:
InChI=1S/C9H15BrO/c1-6-4-7(11)8(10)9(2,3)5-6/h6,8H,4-5H2,1-3H3
InChI Key:
QCJDDOXLUJWMDA-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C(C(C1)(C)C)Br
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.122g/mol
Monoisotopic Mass:
218.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties