| CAS Number | 900174-92-7 |
| Catalog Number | AG01DWT4(AGN-PC-0VPVXB) |
| Chemical Name | tert-butyl N-[(4-amino-2-fluorophenyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(4-amino-2-fluorophenyl)methyl]carbamate |
| InChI | InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-7-8-4-5-9(14)6-10(8)13/h4-6H,7,14H2,1-3H3,(H,15,16) |
| InChI Key | FKSOCOFHSAAXCX-UHFFFAOYSA-N |
| MDL Number | MFCD09263967 |
| Molecular Formula | C12H17FN2O2 |
| Molecular Weight | 240.2740 |
| SMILES | CC(OC(NCC1=C(F)C=C(N)C=C1)=O)(C)C |
| Synonyms | TERT-BUTYL 4-AMINO-2-FLUOROBENZYLCARBAMATE,
900174-92-7,
SCHEMBL4597727,
DTXSID60701788,
FKSOCOFHSAAXCX-UHFFFAOYSA-N,
AB50284,
tert-Butyl [(4-amino-2-fluorophenyl)methyl]carbamate,
(4-Amino-2-fluoro-benzyl)-carbamic acid tert-butyl ester,
TERT-BUTYL4-AMINO-2-FLUOROBENZYLCARBAMATE,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.278g/mol |
| Monoisotopic Mass | 240.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number