| CAS Number | 59746-99-5 |
| Catalog Number | AG019NIJ |
| Chemical Name | ethyl 3-[(4-chlorophenyl)amino]-2-cyanoprop-2-enoate |
| IUPAC Name | ethyl 3-(4-chloroanilino)-2-cyanoprop-2-enoate |
| InChI | InChI=1S/C12H11ClN2O2/c1-2-17-12(16)9(7-14)8-15-11-5-3-10(13)4-6-11/h3-6,8,15H,2H2,1H3 |
| InChI Key | NTWSIYWETNCLJO-UHFFFAOYSA-N |
| MDL Number | MFCD00665122 |
| Molecular Formula | C12H11ClN2O2 |
| Molecular Weight | 250.6809 |
| SMILES | CCOC(C(C#N)=CNC1=CC=C(Cl)C=C1)=O |
| Synonyms | 59746-99-5,
ethyl 3-(4-chloroanilino)-2-cyanoacrylate,
19141-18-5,
ethyl (2Z)-3-[(4-chlorophenyl)amino]-2-cyanoacrylate,
AC1L6ZUT,
ethyl 3-(4-chloroanilino)-2-cyanoprop-2-enoate,
ethyl (2Z)-3-[(4-chlorophenyl)amino]-2-cyanoprop-2-enoate,
CTK6F2748,
CTK8F9537,
AKOS030241181,
MCULE-4698447852,
KS-000021C6,
CID352166,
NSC525236,
ethyl 3-[(4-chlorophenyl)amino]-2-cyanoprop-2-enoate,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.682g/mol |
| Monoisotopic Mass | 250.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number