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80866-87-1,MFCD00001844
Catalog No.:AA003HFW
80866-87-1 | 2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile , 98%
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Technical Information
Catalog Number:
AA003HFW
Chemical Name:
2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile , 98%
CAS Number:
80866-87-1
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
MDL Number:
MFCD00001844
IUPAC Name:
3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile
InChI:
InChI=1S/C10H8F3NO/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
UBOJBAYKXZRZHI-UHFFFAOYSA-N
SMILES:
COC(C(F)(F)F)(c1ccccc1)C#N
EC Number:
279-591-4
Properties
Computed Properties
 
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
80866-87-1 
2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile 
SCHEMBL13785278 
CTK8B2347 
UBOJBAYKXZRZHI-UHFFFAOYSA-N 
ZX-AP001921 
ANW-37404 
BBL102815 
PC9549 
SBB057240 
STL556623 
AKOS005257800 
3,3,3-Trifluoro-2-methoxy-2-phenylpropanenitrile 
MCULE-3352123182 
PS-6941 
CC-11163 
DB-056472 
TR-025500 
FT-0604457 
M1163 
ST50319777 
X-4188 
()-a-Methoxy-a-trifluoromethylphenylacetonitrile 
MFCD00001844 
3,3,3-Trifluoro-2-methoxy-2-phenylpropionitrile 
A839994 
C-11476 
3,3,3-Trifluoro-2-methoxy-2-phenylpropanenitrile # 
I14-28927 
(+\-)-2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile 
2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile , 98% 
alpha-(Trifluoromethyl)-alpha-methoxybenzeneacetonitrile 
3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanenitrile 
(+/-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetonitrile 
(+/-)-a-Methoxy-a-trifluoromethylphenylacetonitrile 
.alpha.-Methoxy-.alpha.-(trifluoro-methyl)phenylacetonitrile 
Benzeneacetonitrile, .alpha.-methoxy-.alpha.-(trifluoromethyl)- 
C10-H8-F3-N-O 
CID589652 
ZINC00056502 
(+/-)-2-Methoxy-2-(trifluoromethyl)phenylacetonitrile 
2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile, 98% - 1G 1g 
alpha-Methoxy-alpha-(trifluoromethyl)phenylacetonitrile 
EINECS 279-591-4 
AC1LBVCQ 
Methoxyphenyl(trifluoromethyl)acetonitrile 
ACMC-1BL9N 
Literature
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