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Home > Boronic Acids > 957062-62-3
957062-62-3 | (4-(2-Nitrophenoxy)phenyl)boronic acid
CAS No: 957062-62-3 Catalog No: AG006BMW MDL No:MFCD09878332
Product Description
Catalog Number:
AG006BMW
Chemical Name:
(4-(2-Nitrophenoxy)phenyl)boronic acid
CAS Number:
957062-62-3
Molecular Formula:
C12H10BNO5
Molecular Weight:
259.0225
MDL Number:
MFCD09878332
IUPAC Name:
[4-(2-nitrophenoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H10BNO5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8,15-16H
InChI Key:
COFSQPXQXYCXFW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)Oc1ccccc1[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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