| CAS Number | 66947-37-3 |
| Catalog Number | AG01BHOC(AGN-PC-0OFXPZ) |
| Chemical Name | 2-[(4-bromo-2-methylphenyl)amino]acetic acid |
| IUPAC Name | 2-(4-bromo-2-methylanilino)acetic acid |
| InChI | InChI=1S/C9H10BrNO2/c1-6-4-7(10)2-3-8(6)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13) |
| InChI Key | VLQCUVXTNBDRRF-UHFFFAOYSA-N |
| MDL Number | MFCD06849859 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | CC1=C(NCC(O)=O)C=CC(Br)=C1 |
| Synonyms | 2-[(4-bromo-2-methylphenyl)amino]acetic acid,
66947-37-3,
ZINC20376387,
AKOS009233689,
Z1973465531,
2-((4-bromo-2-methylphenyl)amino)acetic acid,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number