| CAS Number | 22357-57-9 |
| Catalog Number | AG00BFGR(AGN-PC-0QYZJD) |
| Chemical Name | 2-METHYL-2-(4-NITROPHENYL)-2-PROPANOL |
| IUPAC Name | 2-(4-nitrophenyl)propan-2-ol |
| InChI | InChI=1S/C9H11NO3/c1-9(2,11)7-3-5-8(6-4-7)10(12)13/h3-6,11H,1-2H3 |
| InChI Key | BCERWYLBCDENFU-UHFFFAOYSA-N |
| MDL Number | MFCD00466951 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | [N+](=O)([O-])C1=CC=C(C=C1)C(C)(C)O |
| Synonyms | 2-(4-nitrophenyl)propan-2-ol,
22357-57-9,
BCERWYLBCDENFU-UHFFFAOYSA-N,
2-METHYL-2-(4-NITROPHENYL)-2-PROPANOL,
2-(4-Nitrophenyl)-2-propanol,
AC1Q1NNY,
AC1LC9Q3,
SCHEMBL12208260,
2-(4-Nitrophenyl)-2-propanol #,
ZINC3165701,
AKOS024325058,
MCULE-3219144064,
SC-51125,
alpha,alpha-Dimethyl-4-nitrobenzenemethanol,
Benzenemethanol, .alpha.,.alpha.-dimethyl-4-nitro-,
CID597077,
ACN-041999,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number