| CAS Number | 91247-92-6 |
| Catalog Number | AG0039ED(AGN-PC-0JSEGK) |
| Chemical Name | 2-Nitro-4-tert-pentyl-phenol |
| IUPAC Name | 4-(2-methylbutan-2-yl)-2-nitrophenol |
| InChI | InChI=1S/C11H15NO3/c1-4-11(2,3)8-5-6-10(13)9(7-8)12(14)15/h5-7,13H,4H2,1-3H3 |
| InChI Key | QMZBVXMQEWCXEL-UHFFFAOYSA-N |
| MDL Number | MFCD16742720 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | [N+](=O)([O-])C1=C(C=CC(=C1)C(C)(C)CC)O |
| Synonyms | 91247-92-6,
Phenol, 4-(1,1-dimethylpropyl)-2-nitro,
AC1LB49G,
2-Nitro-4-tert-pentylphenol,
2-Nitro-4-tert-pentyl-phenol,
2-Nitro-4-(tert-pentyl)phenol,
QMZBVXMQEWCXEL-UHFFFAOYSA-N,
AKOS011654556,
4-(2-methylbutan-2-yl)-2-nitrophenol,
N-(1-[1-(2,6-Dimethylphenyl)-1H-tetraazol-5-yl]-2-methylpropyl)-2-methoxyaniline,
CID528962,
Tetrazole, 5-[1-(2-methoxyphenylamino)-2-methylpropyl]-1-(2,6-dimethylphenyl)-,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number