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Home Other Building Blocks 3-Bromo-1,1,1-trifluoroacetone

3-Bromo-1,1,1-trifluoroacetone

CAS No.:
431-35-6
Catalog Number:
AG003E3T
Molecular Formula:
C3H2BrF3O
Molecular Weight:
190.9466
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
96%
In Stock USA
United States
$50
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Product Description
Catalog Number:
AG003E3T
Chemical Name:
3-Bromo-1,1,1-trifluoroacetone
CAS Number:
431-35-6
Molecular Formula:
C3H2BrF3O
Molecular Weight:
190.9466
MDL Number:
MFCD00039237
IUPAC Name:
3-bromo-1,1,1-trifluoropropan-2-one
InChI:
InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
InChI Key:
ONZQYZKCUHFORE-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(F)(F)F
EC Number:
207-071-9
Properties
Complexity:
97.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.924g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.947g/mol
Monoisotopic Mass:
189.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Effect of norharmane in vitro on juvenile hormone epoxide hydrolase activity in the lower termite, Reticulitermes speratus. Journal of insect science (Online) 20080101
19F NMR of trifluoroacetyl-labeled cysteine mutants of myoglobin: structural probes of nitric oxide bound to the H93G cavity mutant. Biochemistry 20010724
Properties