| CAS Number | 862673-06-1 |
| Catalog Number | AG0035VG(AGN-PC-0CGUAE) |
| Chemical Name | 2-BROMO-N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]-PROPANAMIDE |
| IUPAC Name | 2-bromo-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide |
| InChI | InChI=1S/C11H14BrNO3/c1-7(12)11(16)13-5-4-8-2-3-9(14)10(15)6-8/h2-3,6-7,14-15H,4-5H2,1H3,(H,13,16) |
| InChI Key | LGZVAJNPGRBFOC-UHFFFAOYSA-N |
| MDL Number | MFCD30478705 |
| Molecular Formula | C11H14BrNO3 |
| Molecular Weight | 288.1378 |
| SMILES | BrC(C(=O)NCCC1=CC(=C(C=C1)O)O)C |
| Synonyms | 862673-06-1,
2-BROMO-N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]-PROPANAMIDE,
2-bromo-N-(3,4-dihydroxyphenethyl)propanamide,
Propanamide, 2-bromo-N-[2-(3,4-dihydroxyphenyl)ethyl]-,
SCHEMBL1123655,
CTK3C7474,
DTXSID30729439,
KS-000001DB,
MFCD30478705,
AKOS028108290,
N-(3,4-Dihydroxyphenethyl)-2-bromopropanamide,
2-Bromo-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.141g/mol |
| Monoisotopic Mass | 287.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number