| CAS Number | 22427-65-2 |
| Catalog Number | AG01EIG7 |
| Chemical Name | Benzyl 5-nitrofuran-2-carboxylate |
| IUPAC Name | benzyl 5-nitrofuran-2-carboxylate |
| InChI | InChI=1S/C12H9NO5/c14-12(10-6-7-11(18-10)13(15)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | YZMDGRGKHFIBLH-UHFFFAOYSA-N |
| MDL Number | MFCD03155815 |
| Molecular Formula | C12H9NO5 |
| Molecular Weight | 247.2036 |
| SMILES | [O-][N+](C1OC(C(OCC2=CC=CC=C2)=O)=CC=1)=O |
| Synonyms | benzyl 5-nitrofuran-2-carboxylate,
22427-65-2,
AC1M5CC3,
Oprea1_151240,
SCHEMBL16132097,
ZINC3232989,
AKOS033697144,
MCULE-1870529472,
5-Nitro-2-furancarboxylic acid benzyl ester,
SR-01000033212,
SR-01000033212-1,
Z19638749,
ZINC03232989,
CID2350985,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.206g/mol |
| Monoisotopic Mass | 247.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number