Boronic acid, (3-chloro-5-fluorophenyl)-


Chemical Name: Boronic acid, (3-chloro-5-fluorophenyl)-
CAS Number: 328956-61-2
Product Number: AG0033O4(AGN-PC-00P3QT)
Synonyms:
MDL No: MFCD06801741
Molecular Formula: C6H5BClFO2
Molecular Weight: 174.3651

Identification/Properties


Properties
MP:
>200 °C
BP:
308.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
174.362g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
174.006g/mol
Monoisotopic Mass:
174.006g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
136
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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