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Home Other Building Blocks 2-Bromocyclohexanone

2-Bromocyclohexanone

CAS No.:
822-85-5
Catalog Number:
AG003369
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
In Stock USA
United States
$63
- +
1g
90%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG003369
Chemical Name:
2-Bromocyclohexanone
CAS Number:
822-85-5
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
MDL Number:
MFCD09033417
IUPAC Name:
2-bromocyclohexan-1-one
InChI:
InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChI Key:
KDXYEWRAWRZXFT-UHFFFAOYSA-N
SMILES:
BrC1CCCCC1=O
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.041g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
On the (4)J(HH) long-range coupling in 2-bromocyclohexanone: conformational insights. Magnetic resonance in chemistry : MRC 20090401
The utility of infrared spectroscopy for quantitative conformational analysis at a single temperature. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030601
Properties