| CAS Number | 865716-13-8 |
| Catalog Number | AG01C24O(AGN-PC-035G77) |
| Chemical Name | 4-Bromo-2-nitro-1-(prop-2-en-1-yloxy)benzene |
| IUPAC Name | 4-bromo-2-nitro-1-prop-2-enoxybenzene |
| InChI | InChI=1S/C9H8BrNO3/c1-2-5-14-9-4-3-7(10)6-8(9)11(12)13/h2-4,6H,1,5H2 |
| InChI Key | XFUFDKHHPMPDRI-UHFFFAOYSA-N |
| MDL Number | MFCD14652185 |
| Molecular Formula | C9H8BrNO3 |
| Molecular Weight | 258.0687 |
| SMILES | [O-][N+](C1=C(OCC=C)C=CC(Br)=C1)=O |
| Synonyms | 4-bromo-2-nitro-1-(prop-2-en-1-yloxy)benzene,
865716-13-8,
SCHEMBL5644726,
XFUFDKHHPMPDRI-UHFFFAOYSA-N,
ZINC42390023,
1-(allyloxy)-4-bromo-2-nitrobenzene,
AKOS010632709,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.071g/mol |
| Monoisotopic Mass | 256.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number