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259269-56-2 | 2-Propenamide, 3-[4-(trifluoromethoxy)phenyl]-
CAS No: 259269-56-2 Catalog No: AG002R30 MDL No:
Product Description
Catalog Number:
AG002R30
Chemical Name:
2-Propenamide, 3-[4-(trifluoromethoxy)phenyl]-
CAS Number:
259269-56-2
Molecular Formula:
C10H8F3NO2
Molecular Weight:
231.1712
IUPAC Name:
3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
InChI:
InChI=1S/C10H8F3NO2/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H2,14,15)
InChI Key:
JJVOFARCSZCHEV-UHFFFAOYSA-N
SMILES:
NC(=O)C=Cc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.174g/mol
Monoisotopic Mass:
231.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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