Home Fluorides 1003708-66-4
1003708-66-4,MFCD09996933
Catalog No.:AA0001O7
1003708-66-4 | Benzonitrile, 2,5-difluoro-4-methyl-
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1g
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5g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001O7
Chemical Name:
Benzonitrile, 2,5-difluoro-4-methyl-
CAS Number:
1003708-66-4
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD09996933
IUPAC Name:
2,5-difluoro-4-methylbenzonitrile
InChI:
InChI=1S/C8H5F2N/c1-5-2-8(10)6(4-11)3-7(5)9/h2-3H,1H3
InChI Key:
JPNDTPNCYOHHFX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1F)C
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
 
2,5-difluoro-4-methylbenzonitrile 
1003708-66-4 
ZINC19616056 
AKOS006303299 
AM61262 
AS05015 
LF10954 
VZ22742 
AJ-74036 
AS-46298 
BR-37246 
SC-14419 
2,5-Difluoro-4-methyl benzonitrile 
AB0034359 
DB-057869 
ST2403713 
TC-063786 
CS-0063129 
FT-0763739 
X8503 
S-3782 
2,5-DIFLUORO-4-METHYLBENZENECARBONITRILE 
I01-6831 
Benzonitrile, 2,5-difluoro-4-methyl- 
C8H5F2N 
A16184 
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE 
PubChem8341 
SCHEMBL13003845 
CTK7C7326 
DTXSID80629197 
ANW-48190 
MFCD09996933 
Literature
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