CAS 110931-77-6

Chemistry, 2 End Use API, 50 Related Intermediates

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Also known as: 110931-77-6, 4-(2,4-difluorophenyl)-4-oxobutyric acid, 3-(2,4-difluorobenzoyl)propionic acid, 3-(2',4'-difluorobenzoyl)propionic acid, Mfcd00143016, 4-(2,4-difluorophenyl)-4-oxobutanoicacid

Molecular Formula

C₁₀H₈F₂O₃

Molecular Weight

214.16 g/mol

InChI Key

OKYUHFSCTFNDFB-UHFFFAOYSA-N

1 2D Structure

CAS 110931-77-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2,4-difluorophenyl)-4-oxobutanoic acid

2.1.2 InChI

InChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)

2.1.3 InChI Key

OKYUHFSCTFNDFB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1F)F)C(=O)CCC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 110931-77-6

2. 4-(2,4-difluorophenyl)-4-oxobutyric Acid

3. 3-(2,4-difluorobenzoyl)propionic Acid

4. 3-(2',4'-difluorobenzoyl)propionic Acid

5. Mfcd00143016

6. 4-(2,4-difluorophenyl)-4-oxobutanoicacid

7. Schembl3527017

8. Posaconazole Related Compound 1

9. Dtxsid00378877

10. Zinc2512396

11. Ab3648

12. Akos000156915

13. As-65009

14. Db-028590

15. Cs-0130721

16. D4585

17. Ft-0657787

18. 4-(2,4-difluorophenyl);-4-oxobutanoic Acid

19. En300-50232

20. 3-(perfluorooctyl)-2-hydroxypropylacrylate

21. 931d776

22. A802269

23. Z607822476

24. 4-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-butanoic Acid

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈F₂O₃
Molecular Weight	214.16 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	214.04415044 g/mol
Monoisotopic Mass	214.04415044 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	255
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

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Beijing Zhongshuo Pharmaceutical

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CAS Number

110931-77-6

End Use API

Posaconazole

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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Integrin Life Sciences

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4-(2,4-difluorophenyl)-4-oxobutanoic acid

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CAS Number

110931-77-6

End Use API

Posaconazole

About the Company

Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediate...

Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC Industrial Estate, Krishna District, Near the National highway from Hyderabad to Vijayawada, from Hyderabad Airport to 200 km. Integrin is Managed by young entrepreneurs having vast experience in various fields like R & D, production, and marketing of active pharmaceutical ingredients. Integrin life sciences in multi Therapeutic SegmentsLike AntiUlcer, AntiPsychotics, Anti Histamines Anti Fungal and AntiDepressants.

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