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Home > Boronic Acids > 1383985-45-2
1383985-45-2 | 2-Fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 1383985-45-2 Catalog No: AG00IKDE MDL No:MFCD27981320
Product Description
Catalog Number:
AG00IKDE
Chemical Name:
2-Fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1383985-45-2
Molecular Formula:
C14H17BFNO3
Molecular Weight:
277.0991
MDL Number:
MFCD27981320
IUPAC Name:
2-fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C14H17BFNO3/c1-13(2)14(3,4)20-15(19-13)10-6-9(8-17)12(16)11(7-10)18-5/h6-7H,1-5H3
InChI Key:
YQNWWJOWFUFQMD-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1F)C#N)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
404
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:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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