Home Aldehydes 100036-64-4
100036-64-4,MFCD03424645
Catalog No.:AA0000JT
100036-64-4 | [1,1'-Biphenyl]-4-carboxaldehyde, 3'-(trifluoromethyl)-
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Technical Information
Catalog Number:
AA0000JT
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde, 3'-(trifluoromethyl)-
CAS Number:
100036-64-4
Molecular Formula:
C14H9F3O
Molecular Weight:
250.2159
MDL Number:
MFCD03424645
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]benzaldehyde
InChI:
InChI=1S/C14H9F3O/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-9H
InChI Key:
WRWNNARTYPYHEC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.061g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.22g/mol
Monoisotopic Mass:
250.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
100036-64-4 
3'-trifluoromethylbiphenyl-4-carbaldehyde 
AC1LRD1I 
ACMC-1BR3B 
SCHEMBL7215429 
CTK3J8425 
DTXSID70362682 
ZINC1258318 
SBB100722 
AKOS000813815 
MCULE-6527201184 
ZB016188 
3'-Trifluoromethyl-biphenyl-4-carbaldehyde 
RT-019216 
BB 0222434 
FT-0642414 
3'-(Trifluoromethyl)biphenyl-4-carboxaldehyde 
K-0138 
J-000013 
3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde 
3?E per thousand-Trifluoromethylbiphenyl-4-carbaldehyde 
F9995-0538 
[1,1'-Biphenyl]-4-carboxaldehyde, 3'-(trifluoromethyl)- 
4-[3-(trifluoromethyl)phenyl]benzaldehyde 
ZINC01258318 
CID1393343 
3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde 
3'-(trifluoromethyl)[1,1'-biphenyl]-4-carbaldehyde 
[1,1'-Biphenyl]-4-carboxaldehyde,3'-(trifluoromethyl)- 
MFCD03424645 
3'-(Trifluoromethyl)biphenyl-4-carbaldehyde 
PubChem10313 
Literature
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