Home Boronic Acids 765916-91-4
765916-91-4,MFCD09878541
Catalog No.:AA005J9T
765916-91-4 | 2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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1g
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5g
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25g
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Technical Information
Catalog Number:
AA005J9T
Chemical Name:
2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
765916-91-4
Molecular Formula:
C13H15BFNO2
Molecular Weight:
247.0731
MDL Number:
MFCD09878541
IUPAC Name:
2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(15)9(10)8-16/h5-7H,1-4H3
InChI Key:
TXGKJULMHJEZTA-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1F)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.118g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.076g/mol
Monoisotopic Mass:
247.118g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
765916-91-4 
2-CYANO-3-FLUOROPHENYLBORONIC ACID PINACOL ESTER 
AKOS022172825 
ZINC169904244 
AB53945 
FCH2826567 
RTR-024517 
AS-43111 
PC412337 
AX8248247 
TR-024517 
B-4034 
2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
EN300-177648 
(2-CYANO-3-FLUOROPHENYL)BORONIC ACID PINACOL ESTER 
6-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile 
ACN-053841 
2-cyano-3-fluorophenylboronic acid, pinacol ester 
Benzonitrile, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
TXGKJULMHJEZTA-UHFFFAOYSA-N 
SCHEMBL1534864 
CTK8B3664 
DTXSID00624164 
ANW-42916 
MFCD09878541 
Literature
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