| CAS Number | 950759-54-3 |
| Catalog Number | AG00IIQ0(AGN-PC-0WOKZW) |
| Chemical Name | (E)-ethyl3-(2-amino-5-bromophenyl)acrylate |
| IUPAC Name | ethyl (E)-3-(2-amino-5-bromophenyl)prop-2-enoate |
| InChI | InChI=1S/C11H12BrNO2/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h3-7H,2,13H2,1H3/b6-3+ |
| InChI Key | QAPFSNFMYHKPGQ-ZZXKWVIFSA-N |
| MDL Number | MFCD14155808 |
| Molecular Formula | C11H12BrNO2 |
| Molecular Weight | 270.1225 |
| SMILES | NC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC |
| Synonyms | (E)-ethyl 3-(2-amino-5-bromophenyl)acrylate,
950759-54-3,
SCHEMBL16303520,
QAPFSNFMYHKPGQ-ZZXKWVIFSA-N,
MFCD14155808,
ZINC95836346,
AS-41111,
AB0091436,
(E)-ethyl3-(2-amino-5-bromophenyl)acrylate,
2-Amino-5-bromobenzeneacrylic acid ethyl ester,
(E)-ethyl 3-(2-amino-5-bromophenyl)acrylate, 95% - 1G 1g,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 269.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.126g/mol |
| Monoisotopic Mass | 269.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number