| CAS Number | 108871-73-4 |
| Catalog Number | AG00HB8Z(AGN-PC-00C4SC) |
| Chemical Name | 2-chloro-N-(3,4-dimethylphenyl)propanamide |
| IUPAC Name | 2-chloro-N-(3,4-dimethylphenyl)propanamide |
| InChI | InChI=1S/C11H14ClNO/c1-7-4-5-10(6-8(7)2)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14) |
| InChI Key | JOVJLKOOPAPWOK-UHFFFAOYSA-N |
| MDL Number | MFCD09939207 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | CC(C(NC1=CC(C)=C(C)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-(3,4-dimethylphenyl)propanamide,
108871-73-4,
AC1Q2AW9,
CTK7F4290,
ALBB-002380,
BBL037305,
MFCD09939207,
STK501981,
AKOS000179427,
AKOS016345341,
MCULE-7585863484,
TR-052501,
EN300-27889,
Propanamide, 2-chloro-N-(3,4-dimethylphenyl)-,
CID11586530,
T1123,
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 | 3.1 |
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Certificate of Analysis
Lot Number