| CAS Number | 1286274-19-8 |
| Catalog Number | AG01F87U(AGN-PC-3H4997) |
| Chemical Name | tert-Butyl N-[1-(3-fluorophenyl)cyclopropyl]carbamate |
| IUPAC Name | tert-butyl N-[1-(3-fluorophenyl)cyclopropyl]carbamate |
| InChI | InChI=1S/C14H18FNO2/c1-13(2,3)18-12(17)16-14(7-8-14)10-5-4-6-11(15)9-10/h4-6,9H,7-8H2,1-3H3,(H,16,17) |
| InChI Key | UYINUSZJZLWVCY-UHFFFAOYSA-N |
| MDL Number | MFCD18785695 |
| Molecular Formula | C14H18FNO2 |
| Molecular Weight | 251.2966 |
| SMILES | O=C(NC1(CC1)c1cccc(c1)F)OC(C)(C)C |
| Synonyms | 1286274-19-8,
tert-Butyl N-[1-(3-fluorophenyl)cyclopropyl]carbamate,
tert-Butyl (1-(3-fluorophenyl)cyclopropyl)carbamate,
ZINC67801330,
KS-6752,
1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.301g/mol |
| Monoisotopic Mass | 251.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number