Home Fluorides 1003708-74-4
1003708-74-4,MFCD09996934
Catalog No.:AA0001PI
1003708-74-4 | Benzonitrile, 3,5-difluoro-2-methyl-
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1g
5-Difluoro-2-methylbenzonitrile
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$317.00   $222.00
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Technical Information
Catalog Number:
AA0001PI
Chemical Name:
Benzonitrile, 3,5-difluoro-2-methyl-
CAS Number:
1003708-74-4
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD09996934
IUPAC Name:
3,5-difluoro-2-methylbenzonitrile
InChI:
InChI=1S/C8H5F2N/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,1H3
InChI Key:
JHMDKULXRYFRBP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1C)F
Properties
Computed Properties
 
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3,5-Difluoro-2-methylbenzonitrile 
1003708-74-4 
AS05017 
JS-4939 
AJ-74054 
PC302701 
AX8160900 
DB-058361 
FT-0721883 
I01-6833 
A16185 
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE 
3,5-Difluoro-2-methyl benzonitrile 
MFCD09996934 
PubChem8342 
SCHEMBL13525263 
DTXSID50661261 
FCH880043 
ZINC19616272 
AKOS006303300 
Literature
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