3-Methoxy-4-(trifluoromethyl)phenylboronic acid


Chemical Name: 3-Methoxy-4-(trifluoromethyl)phenylboronic acid
CAS Number: 1004775-33-0
Product Number: AG00022M(AGN-PC-0WA8S9)
Synonyms:
MDL No:
Molecular Formula: C8H8BF3O3
Molecular Weight: 219.9535

Identification/Properties


Computed Properties
Molecular Weight:
219.954g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
220.052g/mol
Monoisotopic Mass:
220.052g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
210
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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