Octanex Labs | CAS 863127-76-8 | Related Intermediates | Manufacturers & Suppliers

CAS 863127-76-8

Chemistry, 1 End Use API, 18 Related Intermediates

Manufacturers/Suppliers

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Also known as: 863127-76-8, (e)-n-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide, 2-propenamide, n-(2-chloro-6-methylphenyl)-3-ethoxy-, (2e)-, Schembl93826, Schembl93827, Amy16447

Molecular Formula

C₁₂H₁₄ClNO₂

Molecular Weight

239.70 g/mol

InChI Key

DBYFNZJHXGNAGW-BQYQJAHWSA-N

1 2D Structure

CAS 863127-76-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide

2.1.2 InChI

InChI=1S/C12H14ClNO2/c1-3-16-8-7-11(15)14-12-9(2)5-4-6-10(12)13/h4-8H,3H2,1-2H3,(H,14,15)/b8-7+

2.1.3 InChI Key

DBYFNZJHXGNAGW-BQYQJAHWSA-N

2.1.4 Canonical SMILES

CCOC=CC(=O)NC1=C(C=CC=C1Cl)C

2.1.5 Isomeric SMILES

CCO/C=C/C(=O)NC1=C(C=CC=C1Cl)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 863127-76-8

2. (e)-n-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide

3. 2-propenamide, N-(2-chloro-6-methylphenyl)-3-ethoxy-, (2e)-

4. Schembl93826

5. Schembl93827

6. Amy16447

7. Bcp12441

8. Mfcd13185963

9. Zinc55161469

10. Akos015890090

11. Ac-8960

12. Ds-18611

13. Db-076596

14. Cs-0151953

15. 127c768

16. (e)-n-(2-chloro-6-methylphenyl)-3-ethoxyl Acrylamide

17. (2e)-n-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide

2.3 Create Date

2010-01-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄ClNO₂
Molecular Weight	239.70 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	239.0713064 g/mol
Monoisotopic Mass	239.0713064 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

302964-08-5

End Use API

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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