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Home > Boronic Acids > 850568-04-6
850568-04-6 | (2-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid
CAS No: 850568-04-6 Catalog No: AG003H9S MDL No:MFCD06659868
Product Description
Catalog Number:
AG003H9S
Chemical Name:
(2-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid
CAS Number:
850568-04-6
Molecular Formula:
C8H8BFO4
Molecular Weight:
197.9561
MDL Number:
MFCD06659868
IUPAC Name:
(2-fluoro-5-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3
InChI Key:
MSASJWBQVSRTOE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)B(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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