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Home > Boronic Acids > 913835-58-2
913835-58-2 | 3-FLUORO-4-(METHOXYCARBAMOYL)BENZENEBORONIC ACID 97
CAS No: 913835-58-2 Catalog No: AG00GSYN MDL No:MFCD08436059
Product Description
Catalog Number:
AG00GSYN
Chemical Name:
3-FLUORO-4-(METHOXYCARBAMOYL)BENZENEBORONIC ACID 97
CAS Number:
913835-58-2
Molecular Formula:
C8H9BFNO4
Molecular Weight:
212.9708
MDL Number:
MFCD08436059
IUPAC Name:
[3-fluoro-4-(methoxycarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H9BFNO4/c1-15-11-8(12)6-3-2-5(9(13)14)4-7(6)10/h2-4,13-14H,1H3,(H,11,12)
InChI Key:
RZYYOLUTTNFCAU-UHFFFAOYSA-N
SMILES:
CONC(=O)c1ccc(cc1F)B(O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.971g/mol
Monoisotopic Mass:
213.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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