CAS 1195768-18-3

Chemistry, 2 End Use API, 13 Related Intermediates

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Also known as: 1195768-18-3, 3-amino-2-fluoro-benzoic acid methyl ester, 3-amino-2-fluorobenzoic acid methyl ester, Methyl3-amino-2-fluorobenzoate, Benzoic acid, 3-amino-2-fluoro-, methyl ester, Schembl1126859

Molecular Formula

C₈H₈FNO₂

Molecular Weight

169.15 g/mol

InChI Key

UOYDNSRSUSNCKS-UHFFFAOYSA-N

1 2D Structure

CAS 1195768-18-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-amino-2-fluorobenzoate

2.1.2 InChI

InChI=1S/C8H8FNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3

2.1.3 InChI Key

UOYDNSRSUSNCKS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=C(C(=CC=C1)N)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1195768-18-3

2. 3-amino-2-fluoro-benzoic Acid Methyl Ester

3. 3-amino-2-fluorobenzoic Acid Methyl Ester

4. Methyl3-amino-2-fluorobenzoate

5. Benzoic Acid, 3-amino-2-fluoro-, Methyl Ester

6. Schembl1126859

7. Dtxsid80673195

8. Methyl 3-amino-2-fluoro-benzoate

9. Amy30204

10. Bcp12561

11. Vxb76818

12. Mfcd12923265

13. Zinc47202222

14. Akos016006681

15. Sb31638

16. As-42407

17. Db-061571

18. Cs-0038763

19. Ft-0660924

20. M2868

21. Z2208497489

2.3 Create Date

2010-07-21

3 Chemical and Physical Properties

Molecular Formula	C₈H₈FNO₂
Molecular Weight	169.15 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	169.05390666 g/mol
Monoisotopic Mass	169.05390666 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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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Jinan Tantu Chemicals

Jinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

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Dabrafenib Mesylate

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CAS Number

1195768-18-3

Intermediate Name

Methyl 3-amino-2-fluorobenzoate

About the Company

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.

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Guangdong Raffles PharmaTech Co Ltd

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Digital Content

Dabrafenib Mesylate

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CAS Number

1195768-18-3

Intermediate Name

Methyl 3-amino-2-fluorobenzoate

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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