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Home > Boronic Acids > 874219-33-7
874219-33-7 | (4-Fluoro-3-(phenylcarbamoyl);phenyl);boronic acid
CAS No: 874219-33-7 Catalog No: AG004J9O MDL No:MFCD08235052
Product Description
Catalog Number:
AG004J9O
Chemical Name:
(4-Fluoro-3-(phenylcarbamoyl);phenyl);boronic acid
CAS Number:
874219-33-7
Molecular Formula:
C13H11BFNO3
Molecular Weight:
259.0407
MDL Number:
MFCD08235052
IUPAC Name:
[4-fluoro-3-(phenylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H11BFNO3/c15-12-7-6-9(14(18)19)8-11(12)13(17)16-10-4-2-1-3-5-10/h1-8,18-19H,(H,16,17)
InChI Key:
KHFWXFSYCGFPGR-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)Nc1ccccc1)F)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.043g/mol
Monoisotopic Mass:
259.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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