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1000931-46-3,MFCD09802250
Catalog No.:AA0000SV
2-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)- | 1000931-46-3
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
1 week  
$373.00
- +
1g
95.0%
1 week  
$825.00
- +
2.5g
95.0%
1 week  
$969.00
- +
5g
95.0%
1 week  
$1,172.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000SV
Chemical Name:
2-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)-
CAS Number:
1000931-46-3
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
MDL Number:
MFCD09802250
IUPAC Name:
4-(trifluoromethyl)pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C6H3F3N2O2/c7-6(8,9)3-1-2-10-4(11-3)5(12)13/h1-2H,(H,12,13)
InChI Key:
RYIFBKCEVLTAOZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(n1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.097g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
4-(trifluoromethyl)pyrimidine-2-carboxylic acid 
1000931-46-3 
0088AA 
ZINC12506125 
AKOS015950580 
MCULE-6539824441 
RL00015 
AJ-62581 
AS-48335 
AB0046984 
AB1000654 
DB-014599 
MFCD09802250 
4CH-005366 
FT-0758336 
EN300-53768 
J-513938 
Z360053736 
null 
1-2 weeks 
C6H3F3N2O2 
2-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)- 
4-(trifluoromethyl)-2-Pyrimidinecarboxylic acid 
AC1Q743A 
SCHEMBL1578122 
CTK7J0978 
DTXSID90649588 
RYIFBKCEVLTAOZ-UHFFFAOYSA-N 
Literature
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