| CAS Number | 1314091-92-3 |
| Catalog Number | AG009WVN(AGN-PC-0WNQQP) |
| Chemical Name | 1-(Benzyloxy)-3-bromo-2-nitrobenzene |
| IUPAC Name | 1-bromo-2-nitro-3-phenylmethoxybenzene |
| InChI | InChI=1S/C13H10BrNO3/c14-11-7-4-8-12(13(11)15(16)17)18-9-10-5-2-1-3-6-10/h1-8H,9H2 |
| InChI Key | FZPFXKQEIUYELF-UHFFFAOYSA-N |
| MDL Number | MFCD22420303 |
| Molecular Formula | C13H10BrNO3 |
| Molecular Weight | 308.1274 |
| SMILES | [O-][N+](=O)c1c(cccc1Br)OCc1ccccc1 |
| Synonyms | 1-(Benzyloxy)-3-bromo-2-nitrobenzene,
1314091-92-3,
ZINC95942415,
AKOS026672711,
Z9571,
C13H10BrNO3,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.131g/mol |
| Monoisotopic Mass | 306.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number