4-Difluoromethyl-phenylboronic acid


Chemical Name: 4-Difluoromethyl-phenylboronic acid
CAS Number: 946525-43-5
Product Number: AG00IIF7(AGN-PC-02ZJBF)
Synonyms:
MDL No:
Molecular Formula: C7H7BF2O2
Molecular Weight: 171.9371

Identification/Properties


Computed Properties
Molecular Weight:
171.938g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.051g/mol
Monoisotopic Mass:
172.051g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
135
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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