Home Aldehydes 1000339-55-8
1000339-55-8,MFCD08741401
Catalog No.:AA00009F
1000339-55-8 | Benzaldehyde, 3-methyl-5-(trifluoromethoxy)-
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250mg
1 week  
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1g
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5g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00009F
Chemical Name:
Benzaldehyde, 3-methyl-5-(trifluoromethoxy)-
CAS Number:
1000339-55-8
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD08741401
IUPAC Name:
3-methyl-5-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c1-6-2-7(5-13)4-8(3-6)14-9(10,11)12/h2-5H,1H3
InChI Key:
LAGVGNCAIJDRHK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1)C)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
3-Methyl-5-(trifluoromethoxy)benzaldehyde 
1000339-55-8 
3-Formyl-5-(trifluoromethoxy)toluene 
AKOS015956483 
FCH1324371 
PS-8139 
5-methyl-3-(trifluoromethoxy)benzaldehyde 
AJ-68602 
AK136546 
AX8258114 
Benzaldehyde, 3-methyl-5-(trifluoromethoxy)- 
MFCD08741401 
CTK7H8690 
DTXSID90650452 
KS-00003R7L 
ZX-AP002230 
PC3602 
SBB093241 
ZINC16158951 
Literature
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