| CAS Number | 36802-69-4 |
| Catalog Number | AG01FSDV(AGN-PC-3H603H) |
| Chemical Name | 2-(4-Amino-3-chlorophenyl)propanoic acid |
| IUPAC Name | 2-(4-amino-3-chlorophenyl)propanoic acid |
| InChI | InChI=1S/C9H10ClNO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,11H2,1H3,(H,12,13) |
| InChI Key | KLLHOJJBWVFBDF-UHFFFAOYSA-N |
| MDL Number | MFCD20639115 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | CC(C1=CC=C(N)C(Cl)=C1)C(O)=O |
| Synonyms | 2-(4-amino-3-chlorophenyl)propanoic acid,
36802-69-4,
SCHEMBL10922696,
KLLHOJJBWVFBDF-UHFFFAOYSA-N,
2-(4-amino-3-chlorophenyl) propionic acid,
AK00781114,
alpha-(4-amino-3-chlorophenyl)propionic acid,
alpha-(4-amino-3-chlorophenyl)-propionic acid,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.040006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.63g/mol |
| Monoisotopic Mass | 199.040006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number