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Home > Boronic Acids > 874288-05-8
874288-05-8 | (4-((3-Fluorophenyl);carbamoyl);phenyl);boronic acid
CAS No: 874288-05-8 Catalog No: AG004J0B MDL No:MFCD09027204
Product Description
Catalog Number:
AG004J0B
Chemical Name:
(4-((3-Fluorophenyl);carbamoyl);phenyl);boronic acid
CAS Number:
874288-05-8
Molecular Formula:
C13H11BFNO3
Molecular Weight:
259.0407
MDL Number:
MFCD09027204
IUPAC Name:
[4-[(3-fluorophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BFNO3/c15-11-2-1-3-12(8-11)16-13(17)9-4-6-10(7-5-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
CVYDMRNYGKMSDI-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)NC(=O)c1ccc(cc1)B(O)O
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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