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Home> Hot Product Listed F   > F3222-5554
70380-50-6 structure

F3222-5554

Iupac Name:ethyl 2-[(2,3-dichloro-6-nitrophenyl)methylamino]acetate;hydrochloride
CAS No.:70380-50-6
Molecular Weight:343.585
Molecular Formula:C16H15BRCLN3O (isomer)
Names and Identifiers
Synonyms

AKOS005742895 BG01695013 HTS016708 MCULE-9742893645 methyl 2-[4-(aminocarbonyl)piperidin-1-yl]-3-(4-methylbenzyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate MOLPORT-009-700-611 n-(2-chlorophenyl)-2-(3-ethyl-4-oxo-7-phenyl-3,4-dihydro-5h-pyrrolo[3,2-d]pyrimidin-5-yl)acetamide n-(2-chlorophenyl)-2-(3-ethyl-4-oxo-7-phenyl-3h-pyrrolo[3,2-d]pyrimidin-5(4h)-yl)acetamide n-(2-chlorophenyl)-2-{3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl}acetamide STL144067 VU0515611-1 ZINC48989567

Inchi
InChI=1S/C11H12Cl2N2O4.ClH/c1-2-19-10(16)6-14-5-7-9(15(17)18)4-3-8(12)11(7)13;/h3-4,14H,2,5-6H2,1H3;1H
InChkey
OUUNBAYMSDWITP-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CNCC1=C(C=CC(=C1Cl)Cl)[N+](=O)[O-].Cl
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:343.585g/mol
  • Molecular Formula:C16H15BRCLN3O
  • Compound Is Canonicalized:True
  • Exact Mass:341.994
  • Monoisotopic Mass:341.994
  • Complexity:324
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:84.2A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzOAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIUAAAADArhmCYyyILQRACJ AiTSSwCCAAAgBwAoisCIZooKICKB0rGHIAhggACYyAcQgAAOAABAIAIDAAQAAIBABAYACAAAAAAA AA==
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