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CAS 450-91-9

Chemistry, 3 End Use API, 37 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 450-91-9, 2-methoxy-4-fluoroaniline, 4-fluoro-o-anisidine, Benzenamine, 4-fluoro-2-methoxy-, 4-fluoro-2-methoxybenzenamine, Mfcd00077536

Molecular Formula

C₇H₈FNO

Molecular Weight

141.14 g/mol

InChI Key

BNRRMRUVYDETQC-UHFFFAOYSA-N

1 2D Structure

CAS 450-91-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-fluoro-2-methoxyaniline

2.1.2 InChI

InChI=1S/C7H8FNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3

2.1.3 InChI Key

BNRRMRUVYDETQC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=CC(=C1)F)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 450-91-9

2. 2-methoxy-4-fluoroaniline

3. 4-fluoro-o-anisidine

4. Benzenamine, 4-fluoro-2-methoxy-

5. 4-fluoro-2-methoxybenzenamine

6. Mfcd00077536

7. 4-fluoro-2-methoxy-aniline

8. 4-fluoro-2-methoxyphenylamine

9. Schembl455982

10. 2-amino-5-fluoroanisole[4-fluoro-2-methoxyaniline]

11. 4-fluoro-2-(methyloxy)aniline

12. 4-fluoro-2-methoxy-phenylamine

13. (4-fluoro-2-methoxyphenyl)amine

14. Dtxsid70543136

15. Act00116

16. Bcp11916

17. Cs-b0927

18. Zinc16159540

19. Akos000149628

20. Ccg-325856

21. Gs-4323

22. Mb00562

23. Ac-28647

24. Sy026829

25. Db-070625

26. Am20050535

27. F1003

28. Ft-0647125

29. En300-31570

30. J-515338

31. Z1262396038

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₈FNO
Molecular Weight	141.14 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	141.058992041 g/mol
Monoisotopic Mass	141.058992041 g/mol
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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

1032452-86-0

End Use API

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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