| CAS Number | 150313-84-1 |
| Catalog Number | AG01AD0E(AGN-PC-03WWF1) |
| Chemical Name | 4-Bromo-2-tert-butyl-6-nitrophenol |
| IUPAC Name | 4-bromo-2-tert-butyl-6-nitrophenol |
| InChI | InChI=1S/C10H12BrNO3/c1-10(2,3)7-4-6(11)5-8(9(7)13)12(14)15/h4-5,13H,1-3H3 |
| InChI Key | IGYZKUXNIXAGHE-UHFFFAOYSA-N |
| MDL Number | MFCD27500713 |
| Molecular Formula | C10H12BrNO3 |
| Molecular Weight | 274.1112 |
| SMILES | CC(C1=C(O)C([N+]([O-])=O)=CC(Br)=C1)(C)C |
| Synonyms | 4-bromo-2-tert-butyl-6-nitrophenol,
150313-84-1,
SCHEMBL1730710,
IGYZKUXNIXAGHE-UHFFFAOYSA-N,
ZINC95883651,
4-Bromo-2-(tert-butyl)-6-nitrophenol,
|
| Complexity | 246 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.114g/mol |
| Monoisotopic Mass | 273g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number