3-Methoxy-5-trifluoromethyl-phenol


Chemical Name: 3-Methoxy-5-trifluoromethyl-phenol
CAS Number: 349-56-4
Product Number: AG00CA2T(AGN-PC-0WA8SJ)
Synonyms:
MDL No:
Molecular Formula: C8H7F3O2
Molecular Weight: 192.1352

Identification/Properties


Computed Properties
Molecular Weight:
192.137g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
192.04g/mol
Monoisotopic Mass:
192.04g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
169
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

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NMR Spectrum


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