Home Aldehydes 1000339-54-7
1000339-54-7,MFCD08741399
Catalog No.:AA00009G
1000339-54-7 | Benzaldehyde, 2-methoxy-3-(trifluoromethyl)-
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1g
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1 week  
$180.00
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Technical Information
Catalog Number:
AA00009G
Chemical Name:
Benzaldehyde, 2-methoxy-3-(trifluoromethyl)-
CAS Number:
1000339-54-7
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD08741399
IUPAC Name:
2-methoxy-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c1-14-8-6(5-13)3-2-4-7(8)9(10,11)12/h2-5H,1H3
InChI Key:
XBRULUWQNDWLMN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1OC)C(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:
2.2  

Synonyms
 
2-Methoxy-3-(trifluoromethyl)benzaldehyde 
1000339-54-7 
FCH1325818 
QC-8375 
AJ-68601 
AS-36833 
AX8258101 
Benzaldehyde, 2-methoxy-3-(trifluoromethyl)- 
MFCD08741399 
CTK7H9948 
DTXSID60602589 
ZX-AP005407 
PC3594 
SBB093251 
ZINC16158949 
AKOS015956974 
Literature
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