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259792-94-4 | Nonanoic acid, 9-[methyl[4-(trifluoromethoxy)phenyl]amino]-9-oxo-, methyl ester
CAS No: 259792-94-4 Catalog No: AG002R9T MDL No:
Product Description
Catalog Number:
AG002R9T
Chemical Name:
Nonanoic acid, 9-[methyl[4-(trifluoromethoxy)phenyl]amino]-9-oxo-, methyl ester
CAS Number:
259792-94-4
Molecular Formula:
C18H24F3NO4
Molecular Weight:
375.3827
IUPAC Name:
methyl 9-[N-methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate
InChI:
InChI=1S/C18H24F3NO4/c1-22(14-10-12-15(13-11-14)26-18(19,20)21)16(23)8-6-4-3-5-7-9-17(24)25-2/h10-13H,3-9H2,1-2H3
InChI Key:
HIVBSJSFXXALFB-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCC(=O)N(c1ccc(cc1)OC(F)(F)F)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.166g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.388g/mol
Monoisotopic Mass:
375.166g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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