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Home > Boronic Acids > 1192023-08-7
1192023-08-7 | Benzonitrile, 5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1192023-08-7 Catalog No: AG000ID0 MDL No:MFCD12405378
Product Description
Catalog Number:
AG000ID0
Chemical Name:
Benzonitrile, 5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1192023-08-7
Molecular Formula:
C14H17BFNO2
Molecular Weight:
261.0997
MDL Number:
MFCD12405378
IUPAC Name:
5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C14H17BFNO2/c1-9-6-11(12(16)7-10(9)8-17)15-18-13(2,3)14(4,5)19-15/h6-7H,1-5H3
InChI Key:
HTUJWJWTEQBFEF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
388
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:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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