| CAS Number | 156264-79-8 |
| Catalog Number | AG00JRTE(AGN-PC-08XZ37) |
| Chemical Name | 1-Bromo-3-tert-butyl-5-nitro-benzene |
| IUPAC Name | 1-bromo-3-tert-butyl-5-nitrobenzene |
| InChI | InChI=1S/C10H12BrNO2/c1-10(2,3)7-4-8(11)6-9(5-7)12(13)14/h4-6H,1-3H3 |
| InChI Key | QMFJOTOFCGXDFO-UHFFFAOYSA-N |
| MDL Number | MFCD11846048 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | O=[N+](C1=CC(C(C)(C)C)=CC(Br)=C1)[O-] |
| Synonyms | 156264-79-8,
3-Bromo-5-nitro-tert-butylbenzene,
1-bromo-3-tert-butyl-5-nitro-benzene,
3-Bromo-5-nitrotertbutylbenzene,
SCHEMBL1530129,
MFCD11846048,
ZINC36532887,
AKOS026672020,
Benzene, 1-bromo-3-(1,1-dimethylethyl)-5-nitro-,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number