| CAS Number | 82762-56-9 |
| Catalog Number | AG00G3JA(AGN-PC-00K44D) |
| Chemical Name | 5-Bromo-2-(ethylamino)benzoic acid |
| IUPAC Name | 5-bromo-2-(ethylamino)benzoic acid |
| InChI | InChI=1S/C9H10BrNO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13) |
| InChI Key | GECLABGJKKFNJZ-UHFFFAOYSA-N |
| MDL Number | MFCD07439740 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | BrC=1C=CC(=C(C(=O)O)C1)NCC |
| Synonyms | 5-bromo-2-(ethylamino)benzoic acid,
82762-56-9,
CHEMBRDG-BB 9037567,
ZINC8703068,
MFCD07439740,
AKOS002336815,
MCULE-8700327725,
AJ-58622,
ST50770072,
Y-3106,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number