| CAS Number | 412924-78-8 |
| Catalog Number | AG019UVS(AGN-PC-0WOQ9U) |
| Chemical Name | 2-Amino-2-(3-chlorophenyl)butanoic acid |
| IUPAC Name | 2-amino-2-(3-chlorophenyl)butanoic acid |
| InChI | InChI=1S/C10H12ClNO2/c1-2-10(12,9(13)14)7-4-3-5-8(11)6-7/h3-6H,2,12H2,1H3,(H,13,14) |
| InChI Key | PSTBLRIBNXXEBS-UHFFFAOYSA-N |
| MDL Number | MFCD02662592 |
| Molecular Formula | C10H12ClNO2 |
| Molecular Weight | 213.6608 |
| SMILES | CCC(C1=CC(Cl)=CC=C1)(C(O)=O)N |
| Synonyms | 2-amino-2-(3-chlorophenyl)butanoic acid,
412924-78-8,
AC1Q2SIA,
CTK6C8332,
MFCD02662592,
AKOS000168820,
AKOS022478099,
MCULE-9753539412,
NE60930,
NCGC00333588-01,
BS-12094,
EN300-42981,
AB01329412-02,
Z234896483,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.661g/mol |
| Monoisotopic Mass | 213.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number