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Home > Boronic Acids > 2096334-68-6
2096334-68-6 | 5-Bromo-4-cyano-2-fluorophenylboronic acid, pinacol ester
CAS No: 2096334-68-6 Catalog No: AG01EHOH MDL No:MFCD18837630
Product Description
Catalog Number:
AG01EHOH
Chemical Name:
5-Bromo-4-cyano-2-fluorophenylboronic acid, pinacol ester
CAS Number:
2096334-68-6
MDL Number:
MFCD18837630
IUPAC Name:
2-bromo-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H14BBrFNO2/c1-12(2)13(3,4)19-14(18-12)9-6-10(15)8(7-17)5-11(9)16/h5-6H,1-4H3
InChI Key:
WVXNCZKNBKPFGO-UHFFFAOYSA-N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.972g/mol
Monoisotopic Mass:
325.028g/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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