Home Fluorides 1000536-10-6
1000536-10-6,MFCD09923755
Catalog No.:AA0000MW
1000536-10-6 | 2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
2 weeks  
$229.00
- +
250mg
95.0%
2 weeks  
$313.00
- +
500mg
95.0%
2 weeks  
$554.00
- +
1g
95.0%
2 weeks  
$702.00
- +
2.5g
95.0%
2 weeks  
$1,346.00
- +
5g
95.0%
2 weeks  
$1,976.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000MW
Chemical Name:
2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-
CAS Number:
1000536-10-6
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD09923755
IUPAC Name:
2-[4-(trifluoromethyl)pyridin-2-yl]acetonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-4-13-7(5-6)1-3-12/h2,4-5H,1H2
InChI Key:
WHYZMJPCMMNSSR-UHFFFAOYSA-N
SMILES:
N#CCc1nccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
2-(4-(trifluoromethyl)pyridin-2-yl)acetonitrile 
1000536-10-6 
RL00009 
AK131457 
4-(Trifluoromethyl)pyridine-2-acetonitrile 
AJ-109658 
4CH-005638 
ST24039389 
[4-(Trifluoromethyl)pyridin-2-yl]acetonitrile 
2-Pyridineacetonitrile, 4-(trifluoromethyl)- 
J-505873 
Z2168542069 
2-[4-(trifluoromethyl)pyridin-2-yl]acetonitrile 
SCHEMBL6052863 
DTXSID60717182 
KS-00000RG2 
MFCD09923755 
ZINC44368461 
AKOS006312185 
DS-6931 
Literature
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