| CAS Number | 876160-31-5 |
| Catalog Number | AG00H2BP |
| Chemical Name | ethyl (2E)-3-(5-bromopyridin-2-yl)prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(5-bromopyridin-2-yl)prop-2-enoate |
| InChI | InChI=1S/C10H10BrNO2/c1-2-14-10(13)6-5-9-4-3-8(11)7-12-9/h3-7H,2H2,1H3/b6-5+ |
| InChI Key | BFPKQFHPRDXZPZ-AATRIKPKSA-N |
| MDL Number | MFCD25956428 |
| Molecular Formula | C10H10BrNO2 |
| Molecular Weight | 256.0959 |
| SMILES | CCOC(/C=C/C1=NC=C(Br)C=C1)=O |
| Synonyms | (E)-ethyl 3-(5-bromopyridin-2-yl)acrylate,
876160-31-5,
1198615-12-1,
3-(5-bromopyridin-2-yl)acrylic acid ethyl ester,
ethyl 3-(5-bromopyridin-2-yl)prop-2-enoate,
Ethyl (2E)-3-(5-bromopyridin-2-yl)prop-2-enoate,
SCHEMBL1510817,
BFPKQFHPRDXZPZ-AATRIKPKSA-N,
ZINC116398430,
DB-102353,
EN300-246681,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 254.98949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.1g/mol |
| Monoisotopic Mass | 254.98949g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number