Home Boronic Acids 870238-67-8
870238-67-8,MFCD16996321
Catalog No.:AA003387
870238-67-8 | 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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250mg
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1g
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5g
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Technical Information
Catalog Number:
AA003387
Chemical Name:
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
870238-67-8
Molecular Formula:
C13H15BFNO2
Molecular Weight:
247.0731
MDL Number:
MFCD16996321
IUPAC Name:
2-fluoro-4-(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)10-6-5-9(8-16)11(15)7-10/h5-7H,1-4H3
InChI Key:
DMJGKVYFBOCENL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)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
 
870238-67-8 
2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 
DTXSID70679909 
DMJGKVYFBOCENL-UHFFFAOYSA-N 
BCP19952 
KS-000000PL 
AKOS022168309 
ZINC169747302 
AS-2844 
FCH2776408 
MB20486 
AC-30133 
4-CYANO-3-FLUOROPHENYLBORONIC ACID PINACOL ESTER 
PC200440 
SY035052 
CS-0028289 
MFCD16996321 (96%) 
Q-7334 
2-(4-Cyano-3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzonitrile 
2-Fluoro-4-(4,4,5,5-tetramethyl-1.3.2-dioxaborolan-2-yl)benzonitrile 
C13H15BFNO2 
Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate 
Benzonitrile, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
5606-55-3 
MFCD16996321 
AK185964 
AMTB812 
SCHEMBL751210 
4-CYANO-3-FLUOROBENZENEBORONIC ACID PINACOL ESTER 
CTK3C5913 
Literature
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