Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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915095-87-3 manufacturers and suppliers on PharmaCompass

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915095-87-3
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 Weight 428.6 g/mol
Molecular Formula C17H14ClIO3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count22
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
21739-92-4
Empagliflozin
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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