Home Boronic Acids 1003298-73-4
1003298-73-4,MFCD22419275
Catalog No.:AA0001JI
1003298-73-4 | Benzonitrile, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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100mg
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250mg
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1g
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5g
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Technical Information
Catalog Number:
AA0001JI
Chemical Name:
Benzonitrile, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1003298-73-4
Molecular Formula:
C13H14BF2NO2
Molecular Weight:
265.0636
MDL Number:
MFCD22419275
IUPAC Name:
2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H14BF2NO2/c1-12(2)13(3,4)19-14(18-12)8-5-10(15)9(7-17)11(16)6-8/h5-6H,1-4H3
InChI Key:
XYMVJTWEERDWFY-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.109g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.067g/mol
Monoisotopic Mass:
265.109g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1003298-73-4 
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
MFCD22419275 
AKOS016010764 
ZINC169747297 
DS-5792 
FCH2881988 
PC408301 
SY108322 
AX8245280 
ST2403737 
4CH-017176 
4-Cyano-3,5-difluorophenylboronic acid pinacol ester 
MFCD22419275 (97%) 
4-Cyano-3,5-difluorobenzeneboronic acid pinacol ester 
2,6-DIFLUORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 
2,6-difluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile 
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile 
Benzonitrile, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
AK119864 
C13H14BF2NO2 
SCHEMBL1317499 
DTXSID20729347 
XYMVJTWEERDWFY-UHFFFAOYSA-N 
KS-00000R2S 
0155AA 
Literature
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