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Home > Boronic Acids > 1220219-61-3
1220219-61-3 | Benzeneacetonitrile, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1220219-61-3 Catalog No: AG0016N1 MDL No:MFCD18383797
Product Description
Catalog Number:
AG0016N1
Chemical Name:
Benzeneacetonitrile, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1220219-61-3
Molecular Formula:
C14H17BFNO2
Molecular Weight:
261.0997
MDL Number:
MFCD18383797
IUPAC Name:
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
InChI:
InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)11-6-5-10(7-8-17)12(16)9-11/h5-6,9H,7H2,1-4H3
InChI Key:
SAFMDYCIEJEGJQ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.103g/mol
Monoisotopic Mass:
261.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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