| CAS Number | 349098-11-9 |
| Catalog Number | AG00C8EB(AGN-PC-0WB495) |
| Chemical Name | 3-Chloro-N-ethyl-N-(o-tolyl)propanamide |
| IUPAC Name | 3-chloro-N-ethyl-N-(2-methylphenyl)propanamide |
| InChI | InChI=1S/C12H16ClNO/c1-3-14(12(15)8-9-13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3 |
| InChI Key | WRLMQMNWHVLBQU-UHFFFAOYSA-N |
| MDL Number | MFCD02973832 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | N(CC)(C1=CC=CC=C1C)C(=O)CCCl |
| Synonyms | 3-chloro-N-ethyl-N-(2-methylphenyl)propanamide,
349098-11-9,
3-Chloro-N-ethyl-N-(o-tolyl)propanamide,
AC1MO7UF,
CTK4H3239,
DTXSID00391384,
ALBB-016625,
ZINC5708586,
ZX-AN015317,
ZX-CM015535,
1106AE,
MFCD02973832,
AKOS000157521,
AJ-54600,
FT-0684075,
W-9908,
propanamide, 3-chloro-N-ethyl-N-(2-methylphenyl)-,
I14-28805,
C12H16ClNO,
CID3315997,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number