| CAS Number | 342603-20-7 |
| Catalog Number | AG00CNH5(AGN-PC-07AF47) |
| Chemical Name | Carbamic acid, (5-fluoro-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(5-fluoropyridin-3-yl)carbamate |
| InChI | InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8/h4-6H,1-3H3,(H,13,14) |
| InChI Key | BKYBFDYKYQPBIO-UHFFFAOYSA-N |
| MDL Number | MFCD18968282 |
| Molecular Formula | C10H13FN2O2 |
| Molecular Weight | 212.2208 |
| SMILES | O=C(OC(C)(C)C)Nc1cncc(c1)F |
| Synonyms | 342603-20-7,
tert-butyl (5-fluoropyridin-3-yl)carbamate,
Carbamic acid, (5-fluoro-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI),
tert-butyl N-(5-fluoropyridin-3-yl)carbamate,
SCHEMBL14395618,
BKYBFDYKYQPBIO-UHFFFAOYSA-N,
ZINC39093660,
SB21235,
tert-butyl N-(5-fluoro-3-pyridyl)carbamate,
Y1386,
2-Methyl-2-propanyl (5-fluoro-3-pyridinyl)carbamate,
Carbamic acid, (5-fluoro-3-pyridinyl)-, 1,1-dimethylethyl ester,
C10H13FN2O2,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.224g/mol |
| Monoisotopic Mass | 212.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number