| CAS Number | 213831-01-7 |
| Catalog Number | AG00JD8G(AGN-PC-0WBX59) |
| Chemical Name | N-(3-AMINO-4-CHLOROPHENYL)PROPANAMIDE |
| IUPAC Name | N-(3-amino-4-chlorophenyl)propanamide |
| InChI | InChI=1S/C9H11ClN2O/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13) |
| InChI Key | XTYFFONNCYYVOA-UHFFFAOYSA-N |
| MDL Number | MFCD04104705 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | C1(N)C(Cl)=CC=C(C=1)NC(CC)=O |
| Synonyms | N-(3-amino-4-chlorophenyl)propanamide,
213831-01-7,
AC1Q2RSB,
AC1N2F5G,
SCHEMBL11691760,
CTK6C6701,
ZINC4549313,
BBL006221,
MFCD04104705,
STK003628,
AKOS000108291,
MCULE-1875232931,
N-(3-Amino-4-chloro-phenyl)-propionamide,
TR-049140,
BB 0245286,
H4684,
EN300-42986,
ZINC04549313,
CID3996590,
N/A,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number