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1005764-23-7,MFCD11226526
Catalog No.:AA0002A2
1005764-23-7 | 1-Chloro-3-fluoro-5-(trifluoromethyl)benzene
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Purity
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Price(USD)
Quantity
  
1g
98%
1 week  
$180.00   $126.00
- +
5g
98%
1 week  
$455.00   $318.00
- +
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Technical Information
Catalog Number:
AA0002A2
Chemical Name:
1-Chloro-3-fluoro-5-(trifluoromethyl)benzene
CAS Number:
1005764-23-7
Molecular Formula:
C7H3ClF4
Molecular Weight:
198.5453
MDL Number:
MFCD11226526
IUPAC Name:
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChI Key:
KLZMNQRDDPSCLS-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.545g/mol
Monoisotopic Mass:
197.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1-chloro-3-fluoro-5-(trifluoromethyl)benzene 
1005764-23-7 
AKOS005255759 
FS-5303 
PC52058 
AJ-111304 
AX8158715 
TR-055183 
FT-0646832 
X-3978 
Benzene, 1-chloro-3-fluoro-5-(trifluoromethyl)- 
I01-6683 
3-Chloro-5-fluorobenzotrifluoride 
Benzene,1-chloro-3-fluoro-5-(trifluoromethyl)- 
SCHEMBL7934061 
CTK8E9195 
DTXSID40599084 
BBL100910 
FCH890193 
STL554704 
ZINC49588071 
Literature
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