874649-82-8

Chemistry, 1 End Use API, 20 Related Intermediates

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1 Suppliers

Also known as: 874649-82-8, Methyl 6-fluorochromane-2-carboxylate, Methyl 6-fluoro-3,4-dihydro-2h-chromene-2-carboxylate, Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid methyl ester, Methyl 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylate, Schembl2005546

Molecular Formula

C₁₁H₁₁FO₃

Molecular Weight

210.20 g/mol

InChI Key

QAYAXMIKHJVIJM-UHFFFAOYSA-N

1 2D Structure

874649-82-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate

2.1.2 InChI

InChI=1S/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3

2.1.3 InChI Key

QAYAXMIKHJVIJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1CCC2=C(O1)C=CC(=C2)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 874649-82-8

2. Methyl 6-fluorochromane-2-carboxylate

3. Methyl 6-fluoro-3,4-dihydro-2h-chromene-2-carboxylate

4. Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid Methyl Ester

5. Methyl 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylate

6. Schembl2005546

7. Dtxsid00595128

8. Mfcd09701969

9. Akos015853416

10. Ds-2072

11. Ts-02990

12. 2-methylamino-1-phenylethanonehydrochloride

13. Cs-0001991

14. Ft-0658816

15. M2879

16. A842225

17. 2h-1-benzopyran-2-carboxylicacid,6-fluoro-3,4-dihydro-,methyl Ester

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁FO₃
Molecular Weight	210.20 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.5
Heavy Atom Count	15
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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PMC Isochem

PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

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CAS Number

874649-82-8

Intermediate Name

Methyl-6-fluoro-3, 4-dihydro-2H-1-b...

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.