| CAS Number | 39494-04-7 |
| Catalog Number | AG00C8QF(AGN-PC-0WB47Y) |
| Chemical Name | 3-chloro-N-(2,4-dimethylphenyl)propanamide |
| IUPAC Name | 3-chloro-N-(2,4-dimethylphenyl)propanamide |
| InChI | InChI=1S/C11H14ClNO/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14) |
| InChI Key | QUELVOCFFFLHOS-UHFFFAOYSA-N |
| MDL Number | MFCD02973604 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | N(C(=O)CCCl)C1=CC=C(C=C1C)C |
| Synonyms | 3-chloro-N-(2,4-dimethylphenyl)propanamide,
39494-04-7,
AC1N46XC,
CTK4I1428,
DTXSID90399298,
ALBB-018993,
ZINC5750461,
2414AE,
MFCD02973604,
AKOS000142698,
AJ-54726,
W-9894,
propanamide, 3-chloro-N-(2,4-dimethylphenyl)-,
C11H14ClNO,
CID4099429,
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| Complexity | 196 |
| 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 | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number