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Home > Boronic Acids > 957062-96-3
957062-96-3 | (5-Fluoro-2-(methylcarbamoyl)phenyl)boronic acid
CAS No: 957062-96-3 Catalog No: AG0036W5 MDL No:MFCD09878343
Product Description
Catalog Number:
AG0036W5
Chemical Name:
(5-Fluoro-2-(methylcarbamoyl)phenyl)boronic acid
CAS Number:
957062-96-3
Molecular Formula:
C8H9BFNO3
Molecular Weight:
196.9714
MDL Number:
MFCD09878343
IUPAC Name:
[5-fluoro-2-(methylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H9BFNO3/c1-11-8(12)6-3-2-5(10)4-7(6)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChI Key:
POAMPDABXAYDGV-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1B(O)O)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.972g/mol
Monoisotopic Mass:
197.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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