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Home > Boronic Acids > 850568-05-7
850568-05-7 | 2-Methoxycarbonyl-5-fluorophenylboronic acid
CAS No: 850568-05-7 Catalog No: AG004PC7 MDL No:MFCD03095367
Product Description
Catalog Number:
AG004PC7
Chemical Name:
2-Methoxycarbonyl-5-fluorophenylboronic acid
CAS Number:
850568-05-7
Molecular Formula:
C8H8BFO4
Molecular Weight:
197.9561
MDL Number:
MFCD03095367
IUPAC Name:
(5-fluoro-2-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3
InChI Key:
CHDCMVDJRAQCTJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1B(O)O)F
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.956g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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