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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

CAS 863127-76-8
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

BUILDING BLOCK

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