| CAS Number | 22721-16-0 |
| Catalog Number | AG00BI28(AGN-PC-00ZWJ7) |
| Chemical Name | 5-Bromo-2-(methylamino)benzoic acid |
| IUPAC Name | 5-bromo-2-(methylamino)benzoic acid |
| InChI | InChI=1S/C8H8BrNO2/c1-10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12) |
| InChI Key | SIAWPBGFCFNHCS-UHFFFAOYSA-N |
| MDL Number | MFCD07439747 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | CNc1ccc(cc1C(=O)O)Br |
| Synonyms | 5-bromo-2-(methylamino)benzoic acid,
22721-16-0,
2-(methylamino)-5-bromobenzoic acid,
SCHEMBL1323012,
DTXSID80586110,
5-bromo-2-methylaminobenzoic acid,
SIAWPBGFCFNHCS-UHFFFAOYSA-N,
5-Bromo-2-methylamino-benzoic acid,
ZINC8703074,
MFCD07439747,
SBB045982,
STK328531,
AKOS000275333,
MCULE-1691569775,
AJ-58627,
ST50770066,
5-bromo-2-(methylamino)benzoic acid(SALTDATA,
Y-3111,
Z-8938,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number