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

2-bromo-3,3,5,5-tetramethylcyclohexanone

CAS No.:
2065-77-2
Catalog Number:
AG01BS1I
Molecular Formula:
C10H17BrO
Molecular Weight:
233.1454
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Product Description
Catalog Number:
AG01BS1I
Chemical Name:
2-bromo-3,3,5,5-tetramethylcyclohexanone
CAS Number:
2065-77-2
Molecular Formula:
C10H17BrO
Molecular Weight:
233.1454
MDL Number:
MFCD22055443
IUPAC Name:
2-bromo-3,3,5,5-tetramethylcyclohexan-1-one
InChI:
InChI=1S/C10H17BrO/c1-9(2)5-7(12)8(11)10(3,4)6-9/h8H,5-6H2,1-4H3
InChI Key:
SSUUZZPYKJHKEE-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(C1Br)(C)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.149g/mol
Monoisotopic Mass:
232.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties