| CAS Number | 1358684-71-5 |
| Catalog Number | AG00HUEM(AGN-PC-0WR80W) |
| Chemical Name | Tert-butyl n-[(2-bromo-5-fluorophenyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(2-bromo-5-fluorophenyl)methyl]carbamate |
| InChI | InChI=1S/C12H15BrFNO2/c1-12(2,3)17-11(16)15-7-8-6-9(14)4-5-10(8)13/h4-6H,7H2,1-3H3,(H,15,16) |
| InChI Key | PXQLCYXERBDSJX-UHFFFAOYSA-N |
| MDL Number | MFCD21106265 |
| Molecular Formula | C12H15BrFNO2 |
| Molecular Weight | 304.1554 |
| SMILES | O=C(OC(C)(C)C)NCC1=CC(F)=CC=C1Br |
| Synonyms | tert-butyl N-[(2-bromo-5-fluorophenyl)methyl]carbamate,
1358684-71-5,
ZINC82610158,
AKOS013101574,
NE56365,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.159g/mol |
| Monoisotopic Mass | 303.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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