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Home Boronic acids 2-Cyano-4-fluorophenylboronic acid pinacol ester

2-Cyano-4-fluorophenylboronic acid pinacol ester

CAS No.:
461451-63-8
Catalog Number:
AG003MQD
Molecular Formula:
C13H15BFNO2
Molecular Weight:
247.0731
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003MQD
Chemical Name:
2-Cyano-4-fluorophenylboronic acid pinacol ester
CAS Number:
461451-63-8
Molecular Formula:
C13H15BFNO2
Molecular Weight:
247.0731
MDL Number:
MFCD09260444
IUPAC Name:
5-fluoro-2-(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)11-6-5-10(15)7-9(11)8-16/h5-7H,1-4H3
InChI Key:
IMEIHRCZDURBEC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1B1OC(C(O1)(C)C)(C)C
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
Properties