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Home > Boronic Acids > 874219-19-9
874219-19-9 | (4-Fluoro-3-(methylcarbamoyl)phenyl)boronic acid
CAS No: 874219-19-9 Catalog No: AG0036CQ MDL No:MFCD08235038
Product Description
Catalog Number:
AG0036CQ
Chemical Name:
(4-Fluoro-3-(methylcarbamoyl)phenyl)boronic acid
CAS Number:
874219-19-9
Molecular Formula:
C8H9BFNO3
Molecular Weight:
196.9714
MDL Number:
MFCD08235038
IUPAC Name:
[4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H9BFNO3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10/h2-4,13-14H,1H3,(H,11,12)
InChI Key:
DVDSMLPVTUSIFM-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(ccc1F)B(O)O
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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