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Home > Boronic Acids > 874290-69-4
874290-69-4 | (4-Fluoro-3-(methoxy(methyl);carbamoyl);phenyl);boronic acid
CAS No: 874290-69-4 Catalog No: AG004FYS MDL No:MFCD08235106
Product Description
Catalog Number:
AG004FYS
Chemical Name:
(4-Fluoro-3-(methoxy(methyl);carbamoyl);phenyl);boronic acid
CAS Number:
874290-69-4
Molecular Formula:
C9H11BFNO4
Molecular Weight:
226.9973
MDL Number:
MFCD08235106
IUPAC Name:
[4-fluoro-3-[methoxy(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,1-2H3
InChI Key:
WNDRABQWMCWUIO-UHFFFAOYSA-N
SMILES:
CON(C(=O)c1cc(ccc1F)B(O)O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.998g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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