| CAS Number | 1292211-10-9 |
| Catalog Number | AG00HRXR(AGN-PC-0WRA6R) |
| Chemical Name | Tert-butyl 4-fluoro-2-hydroxybenzylcarbamate |
| IUPAC Name | tert-butyl N-[(4-fluoro-2-hydroxyphenyl)methyl]carbamate |
| InChI | InChI=1S/C12H16FNO3/c1-12(2,3)17-11(16)14-7-8-4-5-9(13)6-10(8)15/h4-6,15H,7H2,1-3H3,(H,14,16) |
| InChI Key | XBCSBHFBCUXUIW-UHFFFAOYSA-N |
| MDL Number | MFCD22208526 |
| Molecular Formula | C12H16FNO3 |
| Molecular Weight | 241.2587 |
| SMILES | CC(OC(NCC1=C(O)C=C(F)C=C1)=O)(C)C |
| Synonyms | Tert-butyl 4-fluoro-2-hydroxybenzylcarbamate,
1292211-10-9,
SCHEMBL1654680,
XBCSBHFBCUXUIW-UHFFFAOYSA-N,
ZINC72190260,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.262g/mol |
| Monoisotopic Mass | 241.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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