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Home > Boronic Acids > 1449145-27-0
1449145-27-0 | 2-Fluoro-5-(2-methyl-3-nitrophenylcarbamoyl)benzeneboronic acid
CAS No: 1449145-27-0 Catalog No: AG00HXC7 MDL No:
Product Description
Catalog Number:
AG00HXC7
Chemical Name:
2-Fluoro-5-(2-methyl-3-nitrophenylcarbamoyl)benzeneboronic acid
CAS Number:
1449145-27-0
IUPAC Name:
[2-fluoro-5-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H12BFN2O5/c1-8-12(3-2-4-13(8)18(22)23)17-14(19)9-5-6-11(16)10(7-9)15(20)21/h2-7,20-21H,1H3,(H,17,19)
InChI Key:
NGWDZPSONNLBMF-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:
3
Isotope Atom Count:
0
Molecular Weight:
318.067g/mol
Monoisotopic Mass:
318.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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