| CAS Number | 876353-77-4 |
| Catalog Number | AG00IEPF(AGN-PC-0WQWLK) |
| Chemical Name | tert-Butyl N-(2,3-dichlorophenyl)carbamate |
| IUPAC Name | tert-butyl N-(2,3-dichlorophenyl)carbamate |
| InChI | InChI=1S/C11H13Cl2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(12)9(8)13/h4-6H,1-3H3,(H,14,15) |
| InChI Key | IKUBTZVYDQBYTO-UHFFFAOYSA-N |
| MDL Number | MFCD07127726 |
| Molecular Formula | C11H13Cl2NO2 |
| Molecular Weight | 262.1324 |
| SMILES | O=C(Nc1cccc(c1Cl)Cl)OC(C)(C)C |
| Synonyms | tert-butyl N-(2,3-dichlorophenyl)carbamate,
876353-77-4,
AC1NKBQP,
ZINC7610504,
AKOS003581111,
ZINC07610504,
CID4935492,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.13g/mol |
| Monoisotopic Mass | 261.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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