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Home > Boronic Acids > 1449131-87-6
1449131-87-6 | 2-Fluoro-5-[n-methyl-n-(2-nitrophenyl)carbamoyl]benzeneboronic acid
CAS No: 1449131-87-6 Catalog No: AG00HX96 MDL No:
Product Description
Catalog Number:
AG00HX96
Chemical Name:
2-Fluoro-5-[n-methyl-n-(2-nitrophenyl)carbamoyl]benzeneboronic acid
CAS Number:
1449131-87-6
IUPAC Name:
[2-fluoro-5-[methyl-(2-nitrophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H12BFN2O5/c1-17(12-4-2-3-5-13(12)18(22)23)14(19)9-6-7-11(16)10(8-9)15(20)21/h2-8,20-21H,1H3
InChI Key:
UOLFNPGGUUSEKJ-UHFFFAOYSA-N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.067g/mol
Monoisotopic Mass:
318.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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