| CAS Number | 1373029-07-2 |
| Catalog Number | AG00HUV4(AGN-PC-0WG3RK) |
| Chemical Name | 5-Amino-4-bromo-2-methylbenzoic acid |
| IUPAC Name | 5-amino-4-bromo-2-methylbenzoic acid |
| InChI | InChI=1S/C8H8BrNO2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | XSZRYXHZPQVXPW-UHFFFAOYSA-N |
| MDL Number | MFCD23378442 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | CC1=C(C(O)=O)C=C(N)C(Br)=C1 |
| Synonyms | 5-Amino-4-bromo-2-methylbenzoic acid,
1373029-07-2,
MFCD23378442,
ZINC91304756,
AKOS027251602,
AS-39813,
CS-0038569,
|
| Complexity | 186 |
| 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 | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number