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Home Halogens 3,3-Dichloro-1,1,1-trifluoroacetone

3,3-Dichloro-1,1,1-trifluoroacetone

CAS No.:
126266-75-9
Catalog Number:
AG00HRFN
Molecular Formula:
C3HCl2F3O
Molecular Weight:
180.9406
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
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United States
$63
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Product Description
Catalog Number:
AG00HRFN
Chemical Name:
3,3-Dichloro-1,1,1-trifluoroacetone
CAS Number:
126266-75-9
Molecular Formula:
C3HCl2F3O
Molecular Weight:
180.9406
MDL Number:
MFCD04038304
IUPAC Name:
3,3-dichloro-1,1,1-trifluoropropan-2-one
InChI:
InChI=1S/C3HCl2F3O/c4-2(5)1(9)3(6,7)8/h2H
InChI Key:
LPKWVIATMJLTEK-UHFFFAOYSA-N
SMILES:
ClC(C(=O)C(F)(F)F)Cl
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.936g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.935g/mol
Monoisotopic Mass:
179.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
3-aminopiperidine-based peptide analogues as the first selective noncovalent inhibitors of the bacterial cysteine protease IdeS. Journal of medicinal chemistry 20120322
Preparation of azulene-derived fulvenedialdehydes and their application to the synthesis of stable adj-dicarbaporphyrinoids. The Journal of organic chemistry 20120302
Polyamide-scorpion cyclam lexitropsins selectively bind AT-rich DNA independently of the nature of the coordinated metal. PloS one 20110101
Synthesis and reactivity of N-methyl and N-phenyl meso-unsubstituted N-confused porphyrins. The Journal of organic chemistry 20081205
Synthesis of sapphyrins, heterosapphyrins, and carbasapphyrins by a '4 + 1' approach. The Journal of organic chemistry 20041210
Properties