Home Nitriles Acetonitrile, 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-

Acetonitrile, 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-

CAS No.:
1847480-32-3
Catalog Number:
AG01FFXL
Molecular Formula:
C14H17BFNO3
Molecular Weight:
277.0991
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Product Description
Catalog Number:
AG01FFXL
Chemical Name:
Acetonitrile, 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
CAS Number:
1847480-32-3
Molecular Formula:
C14H17BFNO3
Molecular Weight:
277.0991
MDL Number:
MFCD31916454
IUPAC Name:
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
InChI:
InChI=1S/C14H17BFNO3/c1-13(2)14(3,4)20-15(19-13)10-5-6-12(11(16)9-10)18-8-7-17/h5-6,9H,8H2,1-4H3
InChI Key:
HNSUXOURUUGQEX-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.129g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.102g/mol
Monoisotopic Mass:
277.129g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties