| CAS Number | 312510-61-5 |
| Catalog Number | AG007I2M(AGN-PC-0WB4OA) |
| Chemical Name | 2-bromo-6-ethoxy-4-[(1E)-2-nitroprop-1-en-1-yl]phenol |
| IUPAC Name | 2-bromo-6-ethoxy-4-(2-nitroprop-1-enyl)phenol |
| InChI | InChI=1S/C11H12BrNO4/c1-3-17-10-6-8(4-7(2)13(15)16)5-9(12)11(10)14/h4-6,14H,3H2,1-2H3 |
| InChI Key | QBELTRFFIQGQOT-UHFFFAOYSA-N |
| MDL Number | MFCD01461653 |
| Molecular Formula | C11H12BrNO4 |
| Molecular Weight | 302.1213 |
| SMILES | [N+](=O)([O-])/C(/C)=C/C1=CC(OCC)=C(C(Br)=C1)O |
| Synonyms | 312510-61-5,
(E)-2-Bromo-6-ethoxy-4-(2-nitroprop-1-en-1-yl)phenol,
2-bromo-6-ethoxy-4-[(1E)-2-nitroprop-1-en-1-yl]phenol,
2-bromo-6-ethoxy-4-[(E)-2-nitroprop-1-enyl]phenol,
AC1MF76B,
2-bromo-6-ethoxy-4-(2-nitroprop-1-enyl)phenol,
Oprea1_641687,
CTK4G6636,
DTXSID50387792,
AKOS030253940,
MCULE-2128370947,
ZINC00318080,
CID2914808,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.124g/mol |
| Monoisotopic Mass | 300.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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