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Home > Boronic Acids > 850568-27-3
850568-27-3 | (4-((4-Fluorophenyl)carbamoyl)phenyl)boronic acid
CAS No: 850568-27-3 Catalog No: AG004SI6 MDL No:MFCD06659878
Product Description
Catalog Number:
AG004SI6
Chemical Name:
(4-((4-Fluorophenyl)carbamoyl)phenyl)boronic acid
CAS Number:
850568-27-3
Molecular Formula:
C13H11BFNO3
Molecular Weight:
259.0407
MDL Number:
MFCD06659878
IUPAC Name:
[4-[(4-fluorophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BFNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
HIHZUEQBMMAFSA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
300
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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