Pmc Isochem

CAS 101987-86-4

Chemistry, 1 End Use API, 5 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 101987-86-4, Ethyl 3-chloro-2,4,5-trifluorobenzoylacetate, Ethyl beta-(3-chloro-2,4,5-trifluorophenyl)-beta-oxopropionate, Ethyl3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate, Ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)acetate, Ambz0381

Molecular Formula

C₁₁H₈ClF₃O₃

Molecular Weight

280.63 g/mol

InChI Key

LZMXLCPYJNRWNQ-UHFFFAOYSA-N

1 2D Structure

CAS 101987-86-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate

2.1.2 InChI

InChI=1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3

2.1.3 InChI Key

LZMXLCPYJNRWNQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)Cl)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 101987-86-4

2. Ethyl 3-chloro-2,4,5-trifluorobenzoylacetate

3. Ethyl Beta-(3-chloro-2,4,5-trifluorophenyl)-beta-oxopropionate

4. Ethyl3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate

5. Ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)acetate

6. Ambz0381

7. Schembl3190199

8. Dtxsid90448957

9. Bcp10400

10. Ab2837

11. Mfcd09037898

12. Zinc22006763

13. 3-(3-chloro-2,4,5-trifluoro-phenyl)-3-oxo-propionic Acid Ethyl Ester

14. Akos005762853

15. Am85449

16. Ac-22721

17. Ds-15133

18. Db-001363

19. Ft-0697180

20. 987e864

21. J-520862

22. 3-chloro-2,4,5-trifluoro-beta-oxo-benzenepropanoic Acid Ethyl Ester

23. Benzenepropanoic Acid, 3-chloro-2,4,5-trifluoro-beta-oxo-, Ethyl Ester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈ClF₃O₃
Molecular Weight	280.63 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	280.0114063 g/mol
Monoisotopic Mass	280.0114063 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

List of Suppliers

Full Screen View

Reset Filter

Ask Us

PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

Contact Supplier

France

Virtual Booth

Digital Content

L-Menthyl chloroformate

PDF Supplier PDF

URL Supplier Web Content

CAS Number

14602-86-9

End Use API

Sitafloxacin Hydrate

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.