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Home > Boronic Acids > 874219-25-7
874219-25-7 | (4-Fluoro-3-((2-hydroxyethyl);carbamoyl);phenyl);boronic acid
CAS No: 874219-25-7 Catalog No: AG008DKN MDL No:MFCD08235044
Product Description
Catalog Number:
AG008DKN
Chemical Name:
(4-Fluoro-3-((2-hydroxyethyl);carbamoyl);phenyl);boronic acid
CAS Number:
874219-25-7
Molecular Formula:
C9H11BFNO4
Molecular Weight:
226.9973
MDL Number:
MFCD08235044
IUPAC Name:
[4-fluoro-3-(2-hydroxyethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO4/c11-8-2-1-6(10(15)16)5-7(8)9(14)12-3-4-13/h1-2,5,13,15-16H,3-4H2,(H,12,14)
InChI Key:
AGNPGTVSVSPBEX-UHFFFAOYSA-N
SMILES:
OCCNC(=O)c1cc(ccc1F)B(O)O
Properties
Complexity:
242
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:
4
Isotope Atom Count:
0
Molecular Weight:
226.998g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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