| CAS Number | 1152822-02-0 |
| Catalog Number | AG00948I(AGN-PC-0WRAD1) |
| Chemical Name | 1-(2-Bromophenoxy)-2-methyl-4-nitrobenzene |
| IUPAC Name | 1-(2-bromophenoxy)-2-methyl-4-nitrobenzene |
| InChI | InChI=1S/C13H10BrNO3/c1-9-8-10(15(16)17)6-7-12(9)18-13-5-3-2-4-11(13)14/h2-8H,1H3 |
| InChI Key | TUJRHXGHWFGQEE-UHFFFAOYSA-N |
| MDL Number | MFCD11106375 |
| Molecular Formula | C13H10BrNO3 |
| Molecular Weight | 308.1274 |
| SMILES | c1(ccc(c(c1)C)Oc1c(cccc1)Br)[N+](=O)[O-] |
| Synonyms | 1-(2-bromophenoxy)-2-methyl-4-nitrobenzene,
1152822-02-0,
ZINC34978321,
Z7695,
C13H10BrNO3,
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| Complexity | 295 |
| 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 | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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