Home Fluorides 1003712-18-2
1003712-18-2,MFCD09996953
Catalog No.:AA0001PM
1003712-18-2 | 2,3-Difluoro-5-methylbenzonitrile
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250mg
95%
1 week  
$470.00   $329.00
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1g
95%
1 week  
$1,089.00   $763.00
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Technical Information
Catalog Number:
AA0001PM
Chemical Name:
2,3-Difluoro-5-methylbenzonitrile
CAS Number:
1003712-18-2
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD09996953
IUPAC Name:
2,3-difluoro-5-methylbenzonitrile
InChI:
InChI=1S/C8H5F2N/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3
InChI Key:
YHCHCXBCEMMYSF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1F)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
 
2,3-Difluoro-5-methylbenzonitrile 
1003712-18-2 
MFCD09996953 
ZINC19616019 
AKOS006303781 
AS05011 
AS05836 
Benzonitrile, 2,3-difluoro-5-methyl- 
CM13051 
LS10213 
AJ-74026 
AK-37229 
PubChem8337 
AX8160396 
DB-058417 
TC-162392 
CS-0037589 
FT-0687711 
ST24038535 
S-7952 
2,3-DIFLUORO-5-METHYLBENZENECARBONITRILE 
I01-6828 
C8H5F2N 
SCHEMBL405549 
A16192 
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE 
CTK7C7133 
DTXSID90661260 
2,3-Difluoro-5-methyl benzonitrile 
0185AA 
ANW-73647 
FCH880051 
Literature
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