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86626-72-4 | 2-[ETHYL(4-FORMYL-3-METHYLPHENYL)AMINO]ETHYL 3-(TRICHLOROMETHYL)BENZOATE
CAS No: 86626-72-4 Catalog No: AG004KZX MDL No:
Product Description
Catalog Number:
AG004KZX
Chemical Name:
2-[ETHYL(4-FORMYL-3-METHYLPHENYL)AMINO]ETHYL 3-(TRICHLOROMETHYL)BENZOATE
CAS Number:
86626-72-4
Molecular Formula:
C20H20Cl3NO3
Molecular Weight:
428.7367
IUPAC Name:
2-(N-ethyl-4-formyl-3-methylanilino)ethyl 3-(trichloromethyl)benzoate
InChI:
InChI=1S/C20H20Cl3NO3/c1-3-24(18-8-7-16(13-25)14(2)11-18)9-10-27-19(26)15-5-4-6-17(12-15)20(21,22)23/h4-8,11-13H,3,9-10H2,1-2H3
InChI Key:
CFBXNTURAPEGTI-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)C)C=O)CCOC(=O)c1cccc(c1)C(Cl)(Cl)Cl
EC Number:
289-262-7
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.051g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.734g/mol
Monoisotopic Mass:
427.051g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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