Anvitha Lifecare

915095-87-3

Chemistry, 1 End Use API, 88 Related Intermediates

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Also known as: 915095-87-3, (s)-(2-chloro-5-iodophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone, (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]methanone, Methanone, (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]-, (2-chloro-5-iodophenyl)-[4-[(3s)-oxolan-3-yl]oxyphenyl]methanone, Ec 619-598-5

Molecular Formula

C₁₇H₁₄ClIO₃

Molecular Weight

428.6 g/mol

InChI Key

WBBJCIOCSVFCNI-AWEZNQCLSA-N

FDA UNII

H38Q3VE2C8

1 2D Structure

915095-87-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-chloro-5-iodophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone

2.1.2 InChI

InChI=1S/C17H14ClIO3/c18-16-6-3-12(19)9-15(16)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1

2.1.3 InChI Key

WBBJCIOCSVFCNI-AWEZNQCLSA-N

2.1.4 Canonical SMILES

C1COCC1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)I)Cl

2.1.5 Isomeric SMILES

C1COC[C@H]1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)I)Cl

2.2 Other Identifiers

2.2.1 UNII

H38Q3VE2C8

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 915095-87-3

2. (s)-(2-chloro-5-iodophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone

3. (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]methanone

4. Methanone, (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]-

5. (2-chloro-5-iodophenyl)-[4-[(3s)-oxolan-3-yl]oxyphenyl]methanone

6. Ec 619-598-5

7. (2-chloro-5-iodophenyl)4-(3s)-tetrahydro-3-furanyloxyphenylmethanone

8. (2-chloro-5-iodophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)methanone

9. (3s)-3-[4-(2-chloro-5-iodobenzoyl)phenoxy]oxolane

10. H38q3ve2c8

11. Schembl2868630

12. Dtxsid50893823

13. Bcp12332

14. Cs-m2268

15. Mfcd22665921

16. Akos027338564

17. Ds-12204

18. A923011

19. (2-chloro-5-iodophenyl)(4-((3s)-tetrahydro-3-furanyloxy)phenyl)methanone

20. (2-chloro-5-iodo-phenyl)-{4-[(s)-(tetrahydrofuran-3-yl)oxy]-phenyl}-methanone

21. Methanone,(2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]-

2.4 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₄ClIO₃
Molecular Weight	428.6 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.5
Heavy Atom Count	22
Formal Charge	0
Complexity	384
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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R)(+)-3-hydroxy tetrahydrofuran

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CAS Number

86087-24-3

End Use API

Empagliflozin

About the Company

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

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