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Home > Boronic Acids > 1072945-93-7
1072945-93-7 | (3-(4-Nitrophenoxy);phenyl);boronic acid
CAS No: 1072945-93-7 Catalog No: AG007ESC MDL No:MFCD09972103
Product Description
Catalog Number:
AG007ESC
Chemical Name:
(3-(4-Nitrophenoxy);phenyl);boronic acid
CAS Number:
1072945-93-7
Molecular Formula:
C12H10BNO5
Molecular Weight:
259.0225
MDL Number:
MFCD09972103
IUPAC Name:
[3-(4-nitrophenoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H10BNO5/c15-13(16)9-2-1-3-12(8-9)19-11-6-4-10(5-7-11)14(17)18/h1-8,15-16H
InChI Key:
LJQNBOHRIBZDAE-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.024g/mol
Monoisotopic Mass:
259.065g/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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