| CAS Number | 1239646-77-5 |
| Catalog Number | AG01A5OC |
| Chemical Name | 2-amino-2-(4-chloro-3-methylphenyl)acetic acid |
| IUPAC Name | 2-amino-2-(4-chloro-3-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H10ClNO2/c1-5-4-6(2-3-7(5)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13) |
| InChI Key | BDJQIXJYDWABPQ-UHFFFAOYSA-N |
| MDL Number | MFCD18705300 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | CC1=C(Cl)C=CC(C(C(O)=O)N)=C1 |
| Synonyms | 2-amino-2-(4-chloro-3-methylphenyl)acetic acid,
1239646-77-5,
SCHEMBL17352758,
BDJQIXJYDWABPQ-UHFFFAOYSA-N,
AKOS006320656,
MCULE-4231754258,
NE24043,
Z1762997314,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.634g/mol |
| Monoisotopic Mass | 199.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number