Shenzhen Hwagen Pharmaceutical

CAS 1195768-18-3

Chemistry, 2 End Use API, 13 Related Intermediates

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2 Suppliers

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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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CAS Number

1195768-20-7

End Use API

Dabrafenib Mesylate

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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