| CAS Number | 400755-56-8 |
| Catalog Number | AG00JBU1(AGN-PC-0WBYCA) |
| Chemical Name | 2-chloro-N-(2,5-dimethylphenyl)propanamide |
| IUPAC Name | 2-chloro-N-(2,5-dimethylphenyl)propanamide |
| InChI | InChI=1S/C11H14ClNO/c1-7-4-5-8(2)10(6-7)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14) |
| InChI Key | XFJQOYYSGXWMEA-UHFFFAOYSA-N |
| MDL Number | MFCD09413165 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | CC(C(NC1=C(C)C=CC(C)=C1)=O)Cl |
| Synonyms | 2-chloro-N-(2,5-dimethylphenyl)propanamide,
400755-56-8,
AC1Q2AUZ,
CTK7F4276,
ALBB-002358,
BBL037311,
MFCD09413165,
STK501989,
AKOS000263628,
AKOS016345351,
MCULE-3232136010,
TR-052479,
EN300-23315,
T0594,
N/A,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number