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27828-87-1 | Ethanone, 2,2,2-trichloro-1-[4-[[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino]phenyl]-
CAS No: 27828-87-1 Catalog No: AG002UVA MDL No:
Product Description
Catalog Number:
AG002UVA
Chemical Name:
Ethanone, 2,2,2-trichloro-1-[4-[[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino]phenyl]-
CAS Number:
27828-87-1
Molecular Formula:
C18H15Cl3N2O5
Molecular Weight:
445.6811
IUPAC Name:
2,2,2-trichloro-1-[4-[[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino]phenyl]ethanone
InChI:
InChI=1S/C18H15Cl3N2O5/c1-2-28-17(15(24)11-5-9-14(10-6-11)23(26)27)22-13-7-3-12(4-8-13)16(25)18(19,20)21/h3-10,17,22H,2H2,1H3
InChI Key:
NJPYLDDMJMGEFV-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)C(=O)C(Cl)(Cl)Cl
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.005g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.677g/mol
Monoisotopic Mass:
444.005g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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