Home Aldehydes 1001020-14-9
1001020-14-9,MFCD07375188
Catalog No.:AA0000VW
1001020-14-9 | 1H-Pyrazole-4-carboxaldehyde, 3-(trifluoromethyl)-
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100mg
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1g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000VW
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(trifluoromethyl)-
CAS Number:
1001020-14-9
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD07375188
IUPAC Name:
5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1-2H,(H,9,10)
InChI Key:
SDTPLGPGUPPHCY-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
3-(Trifluoromethyl)-1H-pyrazole-4-carbaldehyde 
1001020-14-9 
SDTPLGPGUPPHCY-UHFFFAOYSA-N 
BCP23164 
ZX-AP011141 
ANW-73889 
CT0099 
FCH833207 
MFCD07375188 
SBB052301 
ZINC20357654 
AKOS006229526 
AK-30440 
AB41394 
AJ-77135 
BR-30440 
CJ-16674 
DS-12086 
PC300005 
SC-31686 
AB0034334 
AX8042274 
DB-002242 
3-(trifluoromethyl)pyrazole-4-carbaldehyde 
ST2417424 
TR-033748 
4CH-014066 
CS-0018769 
FT-0719011 
X8470 
A21474 
S-6883 
3-TRIFLUOROMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE 
J-511014 
5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde 
F2198-4602 
1H-PYRAZOLE-4-CARBOXALDEHYDE, 3-(TRIFLUOROMETHYL)- 
C5H3F3N2O 
Q-103254 
SCHEMBL70375 
SCHEMBL11939595 
CTK3J8534 
DTXSID60651739 
Literature
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