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86626-71-3 | 2-(Ethyl(3-methylphenyl)amino)ethyl 4-(trichloromethyl)benzoate
CAS No: 86626-71-3 Catalog No: AG004TYR MDL No:
Product Description
Catalog Number:
AG004TYR
Chemical Name:
2-(Ethyl(3-methylphenyl)amino)ethyl 4-(trichloromethyl)benzoate
CAS Number:
86626-71-3
Molecular Formula:
C19H20Cl3NO2
Molecular Weight:
400.7266
IUPAC Name:
2-(N-ethyl-3-methylanilino)ethyl 4-(trichloromethyl)benzoate
InChI:
InChI=1S/C19H20Cl3NO2/c1-3-23(17-6-4-5-14(2)13-17)11-12-25-18(24)15-7-9-16(10-8-15)19(20,21)22/h4-10,13H,3,11-12H2,1-2H3
InChI Key:
AUUQESGZJHQNNE-UHFFFAOYSA-N
SMILES:
CCN(c1cccc(c1)C)CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl
EC Number:
289-261-1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.056g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.724g/mol
Monoisotopic Mass:
399.056g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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