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CAS 863127-76-8 manufacturers and suppliers on PharmaCompass

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CAS 863127-76-8
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 Weight 239.70 g/mol
Molecular Formula C12H14ClNO2
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass239.0713064 g/mol
Monoisotopic Mass239.0713064 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
1780-26-3
Dasatinib
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with ...
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with a professional approach that is aimed at finest results. We have etched a respectable place in the industry with proven expertise in manufacturing a wide spectrum of products. Vijayasri today is one of the prominent manufacturers of Active Pharmaceutical Ingredients (API) and intermediates. Our excellent Performance in Contract manufacturing over the years has also earned us the status of a trustable name in the pharmaceutical industry.
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