| CAS Number | 5651-77-4 |
| Catalog Number | AG01FR0F(AGN-PC-00IRTN) |
| Chemical Name | 5-tert-Butyl-2-nitrophenol |
| IUPAC Name | 5-tert-butyl-2-nitrophenol |
| InChI | InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-8(11(13)14)9(12)6-7/h4-6,12H,1-3H3 |
| InChI Key | FQVUUPPMBGPBRL-UHFFFAOYSA-N |
| MDL Number | MFCD09965945 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | [O-][N+](=O)c1ccc(cc1O)C(C)(C)C |
| Synonyms | 5-tert-butyl-2-nitrophenol,
5651-77-4,
Phenol, 5-(1,1-dimethylethyl)-2-nitro-,
5-t-butyl-2-nitrophenol,
5-(tert-butyl)-2-nitrophenol,
2-nitro-5-tert-butylphenol,
SCHEMBL1027772,
CTK1F4484,
DTXSID50474752,
FQVUUPPMBGPBRL-UHFFFAOYSA-N,
SBB091867,
ZB1070,
AKOS006343093,
DB-129390,
5-Androstene-3,17-dione,
CID11958960,
AE-562/43286982,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.089543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.21g/mol |
| Monoisotopic Mass | 195.089543g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number