| CAS Number | 1094362-66-9 |
| Catalog Number | AG00HBHH(AGN-PC-0WRACL) |
| Chemical Name | N-tert-Butyl-3-(chloromethyl)benzamide |
| IUPAC Name | N-tert-butyl-3-(chloromethyl)benzamide |
| InChI | InChI=1S/C12H16ClNO/c1-12(2,3)14-11(15)10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3,(H,14,15) |
| InChI Key | HZLCZZPCGHYUOL-UHFFFAOYSA-N |
| MDL Number | MFCD11208349 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | ClCc1cccc(c1)C(=O)NC(C)(C)C |
| Synonyms | N-tert-butyl-3-(chloromethyl)benzamide,
1094362-66-9,
N-(tert-Butyl)-3-(chloromethyl)benzamide,
SCHEMBL1019123,
HZLCZZPCGHYUOL-UHFFFAOYSA-N,
ZINC36929910,
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| Complexity | 222 |
| 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 |
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Certificate of Analysis
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