| CAS Number | 340828-48-0 |
| Catalog Number | AG00C5VX(AGN-PC-0WB4LZ) |
| Chemical Name | 2-Fluorobenzyl 4-amino-1,2,5-oxadiazole-3-carboxylate |
| IUPAC Name | (2-fluorophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate |
| InChI | InChI=1S/C10H8FN3O3/c11-7-4-2-1-3-6(7)5-16-10(15)8-9(12)14-17-13-8/h1-4H,5H2,(H2,12,14) |
| InChI Key | UGFSFYPYPCSAOA-UHFFFAOYSA-N |
| MDL Number | MFCD01210822 |
| Molecular Formula | C10H8FN3O3 |
| Molecular Weight | 237.1872 |
| SMILES | C1(C(=O)OCC2=CC=CC=C2F)=NON=C1N |
| Synonyms | 340828-48-0,
2-Fluorobenzyl 4-amino-1,2,5-oxadiazole-3-carboxylate,
CHEMBRDG-BB 6570103,
Oprea1_403454,
CTK4H1709,
DTXSID30635965,
ZX-CM016798,
MFCD01210822,
ZINC19093911,
AKOS022184446,
ACM340828480,
AJ-72266,
W-8116,
2-Fluorobenzyl4-amino-1,2,5-oxadiazole-3-carboxylate,
(2-fluorophenyl)methyl 4-amino-1,2,5-oxadiazole-3-carboxylate,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.19g/mol |
| Monoisotopic Mass | 237.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number