Boronic acid, [3-chloro-4-(phenylmethoxy)phenyl]-


Chemical Name: Boronic acid, [3-chloro-4-(phenylmethoxy)phenyl]-
CAS Number: 845551-44-2
Product Number: AG004UQG(AGN-PC-0KZQ0W)
Synonyms:
MDL No: MFCD04115642
Molecular Formula: C13H12BClO3
Molecular Weight: 262.4966

Identification/Properties


Properties
MP:
188-193 °C
BP:
450.2 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
262.496g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
262.057g/mol
Monoisotopic Mass:
262.057g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
246
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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