| CAS Number | 1402559-21-0 |
| Catalog Number | AG00HVSM(AGN-PC-0WR3LG) |
| Chemical Name | tert-Butyl (4-amino-3-fluorophenyl)carbamate |
| IUPAC Name | tert-butyl N-(4-amino-3-fluorophenyl)carbamate |
| InChI | InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-7-4-5-9(13)8(12)6-7/h4-6H,13H2,1-3H3,(H,14,15) |
| InChI Key | ADNHDGQFYNVNQZ-UHFFFAOYSA-N |
| MDL Number | MFCD09953034 |
| Molecular Formula | C11H15FN2O2 |
| Molecular Weight | 226.2474 |
| SMILES | O=C(OC(C)(C)C)NC1=CC=C(N)C(F)=C1 |
| Synonyms | tert-Butyl (4-amino-3-fluorophenyl)carbamate,
1402559-21-0,
SCHEMBL13193090,
MFCD09953034,
ZINC76855543,
AKOS017555896,
AS-54920,
CS-0038460,
tert-butyl N-(4-amino-3-fluorophenyl)carbamate,
tert-Butyl 4-amino-3-fluorophenylcarbamate,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.251g/mol |
| Monoisotopic Mass | 226.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number