| CAS Number | 34921-61-4 |
| Catalog Number | AG01BGY1 |
| Chemical Name | 2-Amino-5-bromo-3-ethylbenzoic acid |
| IUPAC Name | 2-amino-5-bromo-3-ethylbenzoic acid |
| InChI | InChI=1S/C9H10BrNO2/c1-2-5-3-6(10)4-7(8(5)11)9(12)13/h3-4H,2,11H2,1H3,(H,12,13) |
| InChI Key | JHHRXLLPQQOJJW-UHFFFAOYSA-N |
| MDL Number | MFCD24033897 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | NC1=C(C(=O)O)C=C(C=C1CC)Br |
| Synonyms | 2-amino-5-bromo-3-ethylbenzoic acid,
34921-61-4,
SCHEMBL15129832,
JHHRXLLPQQOJJW-UHFFFAOYSA-N,
ZINC87972175,
AKOS019609238,
2-amino-5-bromo-3-ethyl-benzoic acid,
Z1966566739,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.98949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.08g/mol |
| Monoisotopic Mass | 242.98949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number