5-Methoxy-2-(trifluoromethyl)benzoic acid


Chemical Name: 5-Methoxy-2-(trifluoromethyl)benzoic acid
CAS Number: 716-31-4
Product Number: AG00FCE3(AGN-PC-0WAMOR)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O3
Molecular Weight: 220.1453

Identification/Properties


Computed Properties
Molecular Weight:
220.147g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
220.035g/mol
Monoisotopic Mass:
220.035g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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