| CAS Number | 288251-95-6 |
| Catalog Number | AG002WNU(AGN-PC-00NTSG) |
| Chemical Name | 2-Bromo-1-isobutoxy-4-nitrobenzene |
| IUPAC Name | 2-bromo-1-(2-methylpropoxy)-4-nitrobenzene |
| InChI | InChI=1S/C10H12BrNO3/c1-7(2)6-15-10-4-3-8(12(13)14)5-9(10)11/h3-5,7H,6H2,1-2H3 |
| InChI Key | JMHCNCPLRUGADS-UHFFFAOYSA-N |
| MDL Number | MFCD20441779 |
| Molecular Formula | C10H12BrNO3 |
| Molecular Weight | 274.1112 |
| SMILES | CC(COc1ccc(cc1Br)[N+](=O)[O-])C |
| Synonyms | 2-Bromo-1-isobutoxy-4-nitrobenzene,
288251-95-6,
2-bromo-1-(2-methylpropoxy)-4-nitrobenzene,
ACMC-209h50,
SCHEMBL6052357,
2-isobutoxy-5-nitrobromobenzene,
CTK8B1382,
DTXSID00548336,
JMHCNCPLRUGADS-UHFFFAOYSA-N,
ANW-26482,
MFCD20441779,
ZINC34142061,
AKOS025295061,
TC-115227,
V4932,
B-9188,
Benzene, 2-bromo-1-(2-methylpropoxy)-4-nitro-,
C10H12BrNO3,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.114g/mol |
| Monoisotopic Mass | 273g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number