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Home Other Building Blocks 2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione

2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione

CAS No.:
393-40-8
Catalog Number:
AG01B8RE
Molecular Formula:
C7H3F3O2
Molecular Weight:
176.0927
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Product Description
Catalog Number:
AG01B8RE
Chemical Name:
2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione
CAS Number:
393-40-8
Molecular Formula:
C7H3F3O2
Molecular Weight:
176.0927
MDL Number:
MFCD18449099
IUPAC Name:
2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C7H3F3O2/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H
InChI Key:
IFNVAFSTWNJVTQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C(=C1)C(F)(F)F
EC Number:
609-652-6
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.094g/mol
Monoisotopic Mass:
176.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Kinetic study of the oxidation of phenolic derivatives of alpha,alpha,alpha-trifluorotoluene by singlet molecular oxygen [O2(1delta(g)) and hydrogen phosphate radicals. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030801
Properties