| CAS Number | 432496-77-0 |
| Catalog Number | AG00DATU(AGN-PC-0WB4OJ) |
| Chemical Name | (E)-2-Bromo-6-ethoxy-4-(2-nitrovinyl)phenol |
| IUPAC Name | 2-bromo-6-ethoxy-4-(2-nitroethenyl)phenol |
| InChI | InChI=1S/C10H10BrNO4/c1-2-16-9-6-7(3-4-12(14)15)5-8(11)10(9)13/h3-6,13H,2H2,1H3 |
| InChI Key | CCDAKERDCYBSDH-UHFFFAOYSA-N |
| MDL Number | MFCD03143477 |
| Molecular Formula | C10H10BrNO4 |
| Molecular Weight | 288.0947 |
| SMILES | [N+](=O)([O-])/C=C/C1=CC(OCC)=C(C(Br)=C1)O |
| Synonyms | 432496-77-0,
2-bromo-6-ethoxy-4-(2-nitroethenyl)phenol,
(E)-2-Bromo-6-ethoxy-4-(2-nitrovinyl)phenol,
CHEMBRDG-BB 6796747,
AC1LM3UE,
CTK4I7210,
DTXSID00360530,
AKOS030253941,
MCULE-9760817365,
ZINC00860060,
CID1122239,
2-BROMO-6-ETHOXY-4-[(E)-2-NITROVINYL]PHENOL,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.097g/mol |
| Monoisotopic Mass | 286.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number