| CAS Number | 1365988-24-4 |
| Catalog Number | AG00HUO2(AGN-PC-0WR9YY) |
| Chemical Name | tert-Butyl N-(4-bromo-2,6-dimethylphenyl)carbamate |
| IUPAC Name | tert-butyl N-(4-bromo-2,6-dimethylphenyl)carbamate |
| InChI | InChI=1S/C13H18BrNO2/c1-8-6-10(14)7-9(2)11(8)15-12(16)17-13(3,4)5/h6-7H,1-5H3,(H,15,16) |
| InChI Key | IOKQNFVMJIWDEI-UHFFFAOYSA-N |
| MDL Number | MFCD08703147 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | O=C(OC(C)(C)C)NC1=C(C)C=C(Br)C=C1C |
| Synonyms | 1365988-24-4,
tert-Butyl 4-bromo-2,6-dimethylphenylcarbamate,
tert-butyl N-(4-bromo-2,6-dimethylphenyl)carbamate,
tert-Butyl (4-bromo-2,6-dimethylphenyl)carbamate,
KM3553,
ZINC79387319,
AKOS014476310,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number