3-bromo-4-(trifluoromethoxy)phenol


Chemical Name: 3-bromo-4-(trifluoromethoxy)phenol
CAS Number: 886496-88-4
Product Number: AG008A91(AGN-PC-0KKLLB)
Synonyms:
MDL No: MFCD05864310
Molecular Formula: C7H4BrF3O2
Molecular Weight: 257.0047

Identification/Properties


Computed Properties
Molecular Weight:
257.006g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
255.935g/mol
Monoisotopic Mass:
255.935g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
174
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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