| CAS Number | 111818-35-0 |
| Catalog Number | AG0094B6(AGN-PC-02RDNF) |
| Chemical Name | N-tert-Butyl-4-(chloromethyl)benzamide |
| IUPAC Name | N-tert-butyl-4-(chloromethyl)benzamide |
| InChI | InChI=1S/C12H16ClNO/c1-12(2,3)14-11(15)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3,(H,14,15) |
| InChI Key | MILSPQRMPVEAJL-UHFFFAOYSA-N |
| MDL Number | MFCD02826188 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | ClCc1ccc(cc1)C(=O)NC(C)(C)C |
| Synonyms | 111818-35-0,
N-TERT-BUTYL-4-(CHLOROMETHYL)BENZAMIDE,
N-(tert-Butyl)-4-(chloromethyl)benzamide,
SCHEMBL507514,
MILSPQRMPVEAJL-UHFFFAOYSA-N,
N-tert-butyl-4-chloromethylbenzamide,
ZINC36929911,
AKOS009334085,
K-0932,
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| Complexity | 214 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number