| CAS Number | 683220-28-2 |
| Catalog Number | AG01A01B |
| Chemical Name | ethyl 2-(3-bromophenyl)-2-cyanoacetate |
| IUPAC Name | ethyl 2-(3-bromophenyl)-2-cyanoacetate |
| InChI | InChI=1S/C11H10BrNO2/c1-2-15-11(14)10(7-13)8-4-3-5-9(12)6-8/h3-6,10H,2H2,1H3 |
| InChI Key | CCEBQHOPHOXKJV-UHFFFAOYSA-N |
| MDL Number | MFCD03412595 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | CCOC(C(C1=CC(Br)=CC=C1)C#N)=O |
| Synonyms | ethyl 2-(3-bromophenyl)-2-cyanoacetate,
683220-28-2,
MFCD03412595,
AKOS012174586,
MCULE-8872302116,
NE19878,
BBV-36624297,
(3-Bromophenyl)-cyano-acetic acid ethyl ester,
EN300-108227,
Z1431002646,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number