2-Propenoic acid, 3-[2-(trifluoromethoxy)phenyl]-


Chemical Name: 2-Propenoic acid, 3-[2-(trifluoromethoxy)phenyl]-
CAS Number: 399580-48-4
Product Number: AG00C6NE(AGN-PC-00UXXZ)
Synonyms:
MDL No:
Molecular Formula: C10H7F3O3
Molecular Weight: 232.1560

Identification/Properties


Computed Properties
Molecular Weight:
232.158g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
232.035g/mol
Monoisotopic Mass:
232.035g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
273
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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