| CAS Number | 861597-51-5 |
| Catalog Number | AG004OLH(AGN-PC-0WB4FO) |
| Chemical Name | 2-Chloro-N-(4-methylphenyl)butanamide |
| IUPAC Name | 2-chloro-N-(4-methylphenyl)butanamide |
| InChI | InChI=1S/C11H14ClNO/c1-3-10(12)11(14)13-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,13,14) |
| InChI Key | SRKVFEGDMXEMQK-UHFFFAOYSA-N |
| MDL Number | MFCD02285978 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | C(C(CC)Cl)(=O)NC1C=CC(=CC=1)C |
| Synonyms | 2-CHLORO-N-(4-METHYLPHENYL)BUTANAMIDE,
861597-51-5,
2-Chloro-N-(p-tolyl)butanamide,
CTK5F6326,
DTXSID00589840,
ZX-CM016393,
FCH932768,
MFCD02285978,
AKOS006342340,
BB 0219373,
W-9378,
CHEMBRDG-BB5984163,
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| Complexity | 188 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number