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Home > Boronic Acids > 874288-06-9
874288-06-9 | (4-((2-Fluorophenyl)carbamoyl)phenyl)boronic acid
CAS No: 874288-06-9 Catalog No: AG008DGM MDL No:MFCD09027205
Product Description
Catalog Number:
AG008DGM
Chemical Name:
(4-((2-Fluorophenyl)carbamoyl)phenyl)boronic acid
CAS Number:
874288-06-9
Molecular Formula:
C13H11BFNO3
Molecular Weight:
259.0407
MDL Number:
MFCD09027205
IUPAC Name:
[4-[(2-fluorophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BFNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
IMEVTROIYKNWMT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1ccccc1F
Properties
Complexity:
308
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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