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27695-56-3 | Ethanone, 1-(2-chloro-5-nitrophenyl)-2-[[4-(dichloroacetyl)phenyl]amino]-2-ethoxy- (9CI)
CAS No: 27695-56-3 Catalog No: AG002UHW MDL No:
Product Description
Catalog Number:
AG002UHW
Chemical Name:
Ethanone, 1-(2-chloro-5-nitrophenyl)-2-[[4-(dichloroacetyl)phenyl]amino]-2-ethoxy- (9CI)
CAS Number:
27695-56-3
Molecular Formula:
C18H15Cl3N2O5
Molecular Weight:
445.6811
IUPAC Name:
1-(2-chloro-5-nitrophenyl)-2-[4-(2,2-dichloroacetyl)anilino]-2-ethoxyethanone
InChI:
InChI=1S/C18H15Cl3N2O5/c1-2-28-18(16(25)13-9-12(23(26)27)7-8-14(13)19)22-11-5-3-10(4-6-11)15(24)17(20)21/h3-9,17-18,22H,2H2,1H3
InChI Key:
HJSHVUYWXKYBHW-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)c1cc(ccc1Cl)[N+](=O)[O-])Nc1ccc(cc1)C(=O)C(Cl)Cl
Properties
Complexity:
564
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:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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