| CAS Number | 66947-36-2 |
| Catalog Number | AG00IBNS(AGN-PC-0WP1TM) |
| Chemical Name | N-(5-Bromo-2-methylphenyl)glycine |
| IUPAC Name | 2-(5-bromo-2-methylanilino)acetic acid |
| InChI | InChI=1S/C9H10BrNO2/c1-6-2-3-7(10)4-8(6)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13) |
| InChI Key | VCNAHXVPZMNTCB-UHFFFAOYSA-N |
| MDL Number | MFCD12065745 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | Cc1ccc(cc1NCC(=O)O)Br |
| Synonyms | N-(5-Bromo-2-methylphenyl)glycine,
66947-36-2,
2-((5-Bromo-2-methylphenyl)amino)acetic acid,
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| 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
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Certificate of Analysis
Lot Number