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Home > Boronic Acids > 1072945-96-0
1072945-96-0 | (3-(4-Fluoro-2-nitrophenoxy);phenyl);boronic acid
CAS No: 1072945-96-0 Catalog No: AG007WOM MDL No:MFCD09878354
Product Description
Catalog Number:
AG007WOM
Chemical Name:
(3-(4-Fluoro-2-nitrophenoxy);phenyl);boronic acid
CAS Number:
1072945-96-0
Molecular Formula:
C12H9BFNO5
Molecular Weight:
277.0130
MDL Number:
MFCD09878354
IUPAC Name:
[3-(4-fluoro-2-nitrophenoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H9BFNO5/c14-9-4-5-12(11(7-9)15(18)19)20-10-3-1-2-8(6-10)13(16)17/h1-7,16-17H
InChI Key:
PFNVDOGFMYGBQN-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])Oc1cccc(c1)B(O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.014g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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