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Home > Boronic Acids > 874289-40-4
874289-40-4 | (2-Fluoro-5-(methylcarbamoyl);phenyl);boronic acid
CAS No: 874289-40-4 Catalog No: AG004J08 MDL No:MFCD08436028
Product Description
Catalog Number:
AG004J08
Chemical Name:
(2-Fluoro-5-(methylcarbamoyl);phenyl);boronic acid
CAS Number:
874289-40-4
Molecular Formula:
C8H9BFNO3
Molecular Weight:
196.9714
MDL Number:
MFCD08436028
IUPAC Name:
[2-fluoro-5-(methylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H9BFNO3/c1-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChI Key:
YOQRSSHEHKHAGS-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(c(c1)B(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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