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Home > Boronic Acids > 2096332-06-6
2096332-06-6 | 5-Carboxy-2-fluoro-3-methylphenylboronic acid, pinacol ester
CAS No: 2096332-06-6 Catalog No: AG01EHH8 MDL No:MFCD19237207
Product Description
Catalog Number:
AG01EHH8
Chemical Name:
5-Carboxy-2-fluoro-3-methylphenylboronic acid, pinacol ester
CAS Number:
2096332-06-6
MDL Number:
MFCD19237207
IUPAC Name:
4-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C14H18BFO4/c1-8-6-9(12(17)18)7-10(11(8)16)15-19-13(2,3)14(4,5)20-15/h6-7H,1-5H3,(H,17,18)
InChI Key:
PPXUZUPLUCKDDV-UHFFFAOYSA-N
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.102g/mol
Monoisotopic Mass:
280.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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