| CAS Number | 150805-89-3 |
| Catalog Number | AG01A67U(AGN-PC-0254GE) |
| Chemical Name | 5-Chloro-7-nitro-2,3-dihydro-1-benzofuran |
| IUPAC Name | 5-chloro-7-nitro-2,3-dihydro-1-benzofuran |
| InChI | InChI=1S/C8H6ClNO3/c9-6-3-5-1-2-13-8(5)7(4-6)10(11)12/h3-4H,1-2H2 |
| InChI Key | DUNYELSULQJEHT-UHFFFAOYSA-N |
| MDL Number | MFCD20296390 |
| Molecular Formula | C8H6ClNO3 |
| Molecular Weight | 199.5911 |
| SMILES | [O-][N+](C1=C2C(CCO2)=CC(Cl)=C1)=O |
| Synonyms | 5-chloro-7-nitro-2,3-dihydro-1-benzofuran,
150805-89-3,
Benzofuran, 5-chloro-2,3-dihydro-7-nitro-,
SCHEMBL4096904,
DUNYELSULQJEHT-UHFFFAOYSA-N,
ZINC95829239,
AKOS026726224,
5-chloro-2,3-dihydro-7-nitrobenzofuran,
5-Chloro-7-nitro-2,3-dihydrobenzofuran,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.59g/mol |
| Monoisotopic Mass | 199.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number