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Home > Boronic Acids > 874288-40-1
874288-40-1 | 3-FLUORO-4-(PHENYLCARBAMOYL)BENZENEBORONIC ACID
CAS No: 874288-40-1 Catalog No: AG00GSYK MDL No:MFCD08436025
Product Description
Catalog Number:
AG00GSYK
Chemical Name:
3-FLUORO-4-(PHENYLCARBAMOYL)BENZENEBORONIC ACID
CAS Number:
874288-40-1
Molecular Formula:
C13H11BFNO3
Molecular Weight:
259.0407
MDL Number:
MFCD08436025
IUPAC Name:
[3-fluoro-4-(phenylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H11BFNO3/c15-12-8-9(14(18)19)6-7-11(12)13(17)16-10-4-2-1-3-5-10/h1-8,18-19H,(H,16,17)
InChI Key:
FVSONGWHQODJHA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1F)B(O)O)Nc1ccccc1
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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