| CAS Number | 1701938-87-5 |
| Catalog Number | AG01C1JP |
| Chemical Name | tert-butyl N-{2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl}carbamate |
| IUPAC Name | tert-butyl N-[2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate |
| InChI | InChI=1S/C15H21BrFNO3/c1-15(2,3)21-14(20)18-8-10(9-19)6-11-7-12(16)4-5-13(11)17/h4-5,7,10,19H,6,8-9H2,1-3H3,(H,18,20) |
| InChI Key | FWRGNDLNLGYHGL-UHFFFAOYSA-N |
| MDL Number | MFCD29047340 |
| Molecular Formula | C15H21BrFNO3 |
| Molecular Weight | 362.2345 |
| SMILES | CC(OC(NCC(CC1=C(F)C=CC(Br)=C1)CO)=O)(C)C |
| Synonyms | tert-butyl N-{2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl}carbamate,
1701938-87-5,
AKOS030756069,
Z1862074053,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.239g/mol |
| Monoisotopic Mass | 361.069g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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