| CAS Number | 1369915-68-3 |
| Catalog Number | AG01B9R0 |
| Chemical Name | 3-Bromo-5-(dimethylamino)benzoic acid |
| IUPAC Name | 3-bromo-5-(dimethylamino)benzoic acid |
| InChI | InChI=1S/C9H10BrNO2/c1-11(2)8-4-6(9(12)13)3-7(10)5-8/h3-5H,1-2H3,(H,12,13) |
| InChI Key | CQWRDFKYJBVVQN-UHFFFAOYSA-N |
| MDL Number | MFCD24125783 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | CN(C1=CC(C(O)=O)=CC(Br)=C1)C |
| Synonyms | 3-bromo-5-(dimethylamino)benzoic acid,
1369915-68-3,
SCHEMBL2898633,
AKOS020134546,
ZINC147573701,
Z2211231372,
|
| Complexity | 196 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number