| CAS Number | 500698-02-2 |
| Catalog Number | AG019TIV(AGN-PC-0WOQB1) |
| Chemical Name | 2-amino-2-(2-chlorophenyl)propanoic Acid |
| IUPAC Name | 2-amino-2-(2-chlorophenyl)propanoic acid |
| InChI | InChI=1S/C9H10ClNO2/c1-9(11,8(12)13)6-4-2-3-5-7(6)10/h2-5H,11H2,1H3,(H,12,13) |
| InChI Key | AASPGTOXCQXNOQ-UHFFFAOYSA-N |
| MDL Number | MFCD02662594 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | CC(C1=C(Cl)C=CC=C1)(C(O)=O)N |
| Synonyms | 2-amino-2-(2-chlorophenyl)propanoic Acid,
500698-02-2,
2-(2-chlorophenyl)alanine,
AC1N9HKZ,
SCHEMBL1159854,
MFCD02662594,
AKOS000175112,
AKOS016051234,
MCULE-3223885101,
NE33052,
BS-12327,
Z1318268690,
CID4360826,
2-Amino-2-(2-chloro-phenyl)-propionic acid,
|
| Complexity | 210 |
| 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 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number