| CAS Number | 1352318-25-2 |
| Catalog Number | AG007LHR(AGN-PC-0BGI52) |
| Chemical Name | 2-Bromo-4-nitro-1-propoxybenzene |
| IUPAC Name | 2-bromo-4-nitro-1-propoxybenzene |
| InChI | InChI=1S/C9H10BrNO3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5H2,1H3 |
| InChI Key | PUDSNKROJBEMKJ-UHFFFAOYSA-N |
| MDL Number | MFCD20529436 |
| Molecular Formula | C9H10BrNO3 |
| Molecular Weight | 260.0846 |
| SMILES | CCCOc1ccc(cc1Br)[N+](=O)[O-] |
| Synonyms | 2-Bromo-4-nitro-1-propoxybenzene,
1352318-25-2,
ACMC-209byr,
CTK8B0297,
DTXSID80718318,
ANW-19777,
MFCD20529436,
ZINC74937712,
TC-108522,
Z9864,
B-8427,
C9H10BrNO3,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.087g/mol |
| Monoisotopic Mass | 258.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number