Home Halogens methyl{[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}acetate

methyl{[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}acetate

CAS No.:
93-78-7
Catalog Number:
AG0060VK
Molecular Formula:
C18H13ClF3N2O6-
Molecular Weight:
445.7538
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Product Description
Catalog Number:
AG0060VK
Chemical Name:
methyl{[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}acetate
CAS Number:
93-78-7
Molecular Formula:
C18H13ClF3N2O6-
Molecular Weight:
445.7538
MDL Number:
MFCD00045167
IUPAC Name:
propan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
InChI:
InChI=1S/C11H11Cl3O3/c1-6(2)17-11(15)5-16-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5H2,1-2H3
InChI Key:
SXHQLHGHMREHMX-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C(ON=C(c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C)C
EC Number:
202-275-4
UNII:
EG70MZA02Y
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.977g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.556g/mol
Monoisotopic Mass:
295.977g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties