Home Fluorides 1001020-13-8
1001020-13-8,MFCD16620670
Catalog No.:AA0000VX
1H-Pyrazole-4-methanol, 3-(trifluoromethyl)- | 1001020-13-8
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250mg
95%
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1g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000VX
Chemical Name:
1H-Pyrazole-4-methanol, 3-(trifluoromethyl)-
CAS Number:
1001020-13-8
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD16620670
IUPAC Name:
[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
InChI:
InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10)
InChI Key:
PPTPNGBNXZGCBT-UHFFFAOYSA-N
SMILES:
OCc1c[nH]nc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
1001020-13-8 
(3-Trifluoromethyl-1H-pyrazol-4-yl)methanol 
CTK8C1400 
PPTPNGBNXZGCBT-UHFFFAOYSA-N 
ANW-66456 
MFCD16620670 
ZINC83124666 
AKOS014313487 
AKOS016004596 
CS-W003881 
DS-2479 
FS-3681 
4-(Hydroxymethyl)-3-(Trifluoromethyl)pyrazole 
MP-1663 
SB13736 
TRA-0193961 
AC-28857 
SY024070 
AJ-125746 
AX8222269 
ST2407986 
TC-155201 
4CH-011141 
(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)METHANOL 
FT-0697140 
Z3781 
KS-00000922 
1H-Pyrazole-4-methanol, 3-(trifluoromethyl)- 
MFCD16620670 (97+%) 
F2198-4594 
C5H5F3N2O 
(3-Trifluoromethyl-1H-pyrazol-4-yl)-methanol 
102297-41-6 
(5-(Trifluoromethyl)-1H-pyrazol-4-yl)methanol 
1266112-11-1 
AK-46799 
[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol 
[3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol 
SCHEMBL69850 
Literature
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