| CAS Number | 1352413-09-2 |
| Catalog Number | AG00HTZA |
| Chemical Name | tert-Butyl N-[3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChI | InChI=1S/C18H28BNO4/c1-12-9-13(19-23-17(5,6)18(7,8)24-19)11-14(10-12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21) |
| InChI Key | KSZKPTFZNNBPJW-UHFFFAOYSA-N |
| MDL Number | MFCD22570802 |
| Molecular Formula | C18H28BNO4 |
| Molecular Weight | 333.2302 |
| SMILES | CC1=CC(B2OC(C)(C)C(C)(C)O2)=CC(NC(OC(C)(C)C)=O)=C1 |
| Synonyms | tert-Butyl N-[3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate,
1352413-09-2,
SCHEMBL13833256,
KSZKPTFZNNBPJW-UHFFFAOYSA-N,
ZINC206986034,
tert-butyl (3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.235g/mol |
| Monoisotopic Mass | 333.211g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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