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Home > Boronic Acids > 75626-21-0
75626-21-0 | Boronic acid,(2-fluoro-6-methoxyphenyl)-, dimethyl ester (9CI)
CAS No: 75626-21-0 Catalog No: AG005AO1 MDL No:
Product Description
Catalog Number:
AG005AO1
Chemical Name:
Boronic acid,(2-fluoro-6-methoxyphenyl)-, dimethyl ester (9CI)
CAS Number:
75626-21-0
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
IUPAC Name:
(2-fluoro-6-methoxyphenyl)-dimethoxyborane
InChI:
InChI=1S/C9H12BFO3/c1-12-8-6-4-5-7(11)9(8)10(13-2)14-3/h4-6H,1-3H3
InChI Key:
CBBKVMGVVSSNBO-UHFFFAOYSA-N
SMILES:
COB(c1c(F)cccc1OC)OC
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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