| CAS Number | 86607-76-3 |
| Catalog Number | AG00IE57(AGN-PC-0JXCG7) |
| Chemical Name | 1-Bromo-2-(4-nitrophenoxy)benzene |
| IUPAC Name | 1-bromo-2-(4-nitrophenoxy)benzene |
| InChI | InChI=1S/C12H8BrNO3/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H |
| InChI Key | CPZPDDSHJZQKSD-UHFFFAOYSA-N |
| MDL Number | MFCD02106046 |
| Molecular Formula | C12H8BrNO3 |
| Molecular Weight | 294.1008 |
| SMILES | Brc1ccccc1Oc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 1-bromo-2-(4-nitrophenoxy)benzene,
86607-76-3,
2-Bromo-4'-nitrodiphenyl ether,
AC1LHY8O,
CBMicro_023113,
SCHEMBL1283503,
ZINC437590,
CCG-10590,
AKOS000201774,
MCULE-1685453357,
Benzene, 1-bromo-2-(4-nitrophenoxy)-,
BIM-0023226.P001,
V8214,
C12H8BrNO3,
CID871306,
ZINC00437590,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.104g/mol |
| Monoisotopic Mass | 292.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number