(3-ethoxy-2,6-difluorophenyl)boronic acid


Chemical Name: (3-ethoxy-2,6-difluorophenyl)boronic acid
CAS Number: 849062-00-6
Product Number: AG004PUR(AGN-PC-00UQPG)
Synonyms:
MDL No: MFCD07369735
Molecular Formula: C8H9BF2O3
Molecular Weight: 201.9631

Identification/Properties


Properties
MP:
76-77 °C
BP:
341.6 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
201.964g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
202.061g/mol
Monoisotopic Mass:
202.061g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
182
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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