Home Fluorides 54752-50-0
54752-50-0,MFCD08234368
Catalog No.:AA00DJQJ
54752-50-0 | 7-(Trifluoromethyl)-1-tetralone
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100mg
95%
in stock  
$99.00   $69.00
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250mg
95%
in stock  
$179.00   $125.00
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1g
95%
in stock  
$375.00   $263.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00DJQJ
Chemical Name:
7-(Trifluoromethyl)-1-tetralone
CAS Number:
54752-50-0
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
MDL Number:
MFCD08234368
IUPAC Name:
7-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C11H9F3O/c12-11(13,14)8-5-4-7-2-1-3-10(15)9(7)6-8/h4-6H,1-3H2
InChI Key:
DWJWQWRIRONTKT-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc(cc2)C(F)(F)F
Properties
Computed Properties
 
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.187g/mol
Monoisotopic Mass:
214.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
54752-50-0 
7-(TRIFLUOROMETHYL)-1-TETRALONE 
3639AJ 
MFCD08234368 
ZINC38435500 
MB05375 
NE63595 
AJ-95317 
AS-47217 
AX8110096 
7- -1-TETRALONE 
C11H9F3O 
7-(Trifluoromethyl)-3,4-dihydronaphthalen-1(2H)-one 
ACN-041035 
CID10262659 
7-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-one 
7-TRIFLUOROMETHYL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE 
AMOT0777 
SCHEMBL9024341 
1(2H)-Naphthalenone, 3,4-dihydro-7-(trifluoromethyl)- 
CTK5A2521 
DTXSID70437521 
7-(Trifluoromethyl)tetralin-1-one 
Literature
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