Encyclopedia
ETHYL 2,3-DICHLOROBENZOYLFORMATE structure

ETHYL 2,3-DICHLOROBENZOYLFORMATE

 
1. Names and Identifiers
1.1 Name
ETHYL 2,3-DICHLOROBENZOYLFORMATE
1.2 Synonyms
6066AD; ACM180868999; AKOS016017069; BBV-45169133; CTK4D7733; DTXSID10641286; Ethyl (2,3-dichlorophenyl)(oxo)acetate; ethyl 2-(2,3-dichlorophenyl)-2-oxoacetate; ethyl 2,3-dichlorobenzoylformate, AldrichCPR; FS-6458; MFCD09801402; ZINC75865371;
1.3 CAS No.
180868-99-9
1.4 CID
24722252
1.5 Molecular Formula
C10H8Cl2O3
1.6 Inchi
InChI=1S/C10H8Cl2O3/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3
1.7 InChkey
AHXVZWLBSUWYJX-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(=O)C(=O)C1=C(C(=CC=C1)Cl)Cl
1.9 Isomers Smiles
CCOC(=O)C(=O)C1=C(C(=CC=C1)Cl)Cl
2. 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

3. Synthesis Route
180868-99-9Total: 1 Synthesis Route
 
7664-93-9
7664-93-9
 
2401-21-0
2401-21-0 72 Suppliers
 
4755-77-5
4755-77-5 105 Suppliers
 
4. Precursor and Product
precursor:
5. Computed Properties
  • Molecular Weight:247.08g/mol
  • Molecular Formula:C10H8Cl2O3
  • Compound Is Canonicalized:True
  • Exact Mass:3.3
  • XLogP3-AA:245.9850495
  • Monoisotopic Mass:245.9850495
  • Complexity:255
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count::15
  • 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:1
  • CACTVS Substructure Key Fingerprint:AAADccBwMAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAADAagmCIyCIAABACIAqDSCAICAAAkBQAIikFAAsgIIDKBFxSCIQAkwAEIjYeIyKCOAAAAIAABAAQAAABAAAIACAAAAAAAAA==
6. Realated Product Infomation
 
 
 
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