Dksh

4CH-010983

Chemistry, 1 End Use API, 5 Related Intermediates

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1 Suppliers

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Also known as: 654655-69-3, Quinoline, 6-bromo-2-methoxy-3-(phenylmethyl)-, 6-bromo-2-methoxy-3-benzylquinoline, Mfcd22493488, 3-benzyl-6-bromo-2-methoxy-quinoline, Schembl296886

Molecular Formula

C₁₇H₁₄BrNO

Molecular Weight

328.2 g/mol

InChI Key

WMFHVNYOCKTDMX-UHFFFAOYSA-N

1 2D Structure

4CH-010983

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-benzyl-6-bromo-2-methoxyquinoline

2.1.2 InChI

InChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3

2.1.3 InChI Key

WMFHVNYOCKTDMX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C2C=C(C=CC2=N1)Br)CC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 654655-69-3

2. Quinoline, 6-bromo-2-methoxy-3-(phenylmethyl)-

3. 6-bromo-2-methoxy-3-benzylquinoline

4. Mfcd22493488

5. 3-benzyl-6-bromo-2-methoxy-quinoline

6. Schembl296886

7. Amy457

8. Dtxsid90470319

9. Bcp07764

10. 2-methoxy-3-benzyl-6-bromoquinoline

11. Zinc38214180

12. Akos016003561

13. Ds-2432

14. Ac-28386

15. Sy105538

16. Cs-0009939

17. A851590

18. F9995-2406

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₄BrNO
Molecular Weight	328.2 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	327.02588 g/mol
Monoisotopic Mass	327.02588 g/mol
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	305
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

941-98-0

End Use API

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and bus...

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and business growth in both existing and emerging markets. It has been fostering growth for businesses in Asia and beyond for over 155 years. DKSH operates in 36 markets, is listed on the SIX Swiss Exchange, employs 33,100 specialists, and generated net sales of CHF 11.1 billion in 2021. It is the leading global distributor of innovative pharma ingredients for pharmaceutical synthesis and formulation. It offers a range of products, ranging from animal care products to packaging materials, intermediates to nutraceuticals, and APIs to excipients.