Home Fluorides 100991-09-1
100991-09-1,MFCD10696944
Catalog No.:AA0003BB
100991-09-1 | 2-(Trifluoromethyl)pyrimidin-5-ol
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Purity
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Price(USD)
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250mg
98%
in stock  
$172.00   $120.00
- +
1g
98%
in stock  
$445.00   $311.00
- +
5g
98%
in stock  
$1,778.00   $1,245.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003BB
Chemical Name:
2-(Trifluoromethyl)pyrimidin-5-ol
CAS Number:
100991-09-1
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD10696944
IUPAC Name:
2-(trifluoromethyl)pyrimidin-5-ol
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-1-3(11)2-10-4/h1-2,11H
InChI Key:
QPAXXIOBBIIATH-UHFFFAOYSA-N
SMILES:
FC(c1ncc(cn1)O)(F)F
Properties
Computed Properties
 
Complexity:
130  
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:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
2-(Trifluoromethyl)pyrimidin-5-ol 
100991-09-1 
DTXSID10544541 
QPAXXIOBBIIATH-UHFFFAOYSA-N 
2-(trifluoromethyl)pyrimidin-5-oI 
KS-00000N9E 
MFCD10696944 
ZINC91689897 
AKOS006305068 
AB58591 
CS-W006254 
FS-3750 
5-Pyrimidinol, 2-(trifluoromethyl)- 
MP-1332 
5-Hydroxy-2-(trifluoromethyl)pyrimidine 
AJ-86949 
AK112588 
SC-30317 
ST2416286 
4CH-015338 
X7948 
C5H3F3N2O 
2-Trifluoromethyl-5-Hydroxypyrimidine 
5-Pyrimidinol,2-(trifluoromethyl)- 
ACN-027399 
2-Trifluoromethyl-5-Hydroxy Pyrimidine 
2-TRIFLUOROMETHYL-PYRIMIDIN-5-OL 
2-(TRIFLUOROMETHYL)-5-PYRIMIDINOL 
SCHEMBL876534 
ACMC-20m413 
CTK3J9420 
Literature
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