| CAS Number | 1039882-00-2 |
| Catalog Number | AG01A6QW |
| Chemical Name | [4-(dimethylamino)-3-nitrophenyl]methanol |
| IUPAC Name | [4-(dimethylamino)-3-nitrophenyl]methanol |
| InChI | InChI=1S/C9H12N2O3/c1-10(2)8-4-3-7(6-12)5-9(8)11(13)14/h3-5,12H,6H2,1-2H3 |
| InChI Key | SMMCFHUGTZNWEN-UHFFFAOYSA-N |
| MDL Number | MFCD11191404 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CN(C1=C([N+]([O-])=O)C=C(CO)C=C1)C |
| Synonyms | [4-(dimethylamino)-3-nitrophenyl]methanol,
1039882-00-2,
ZINC20468218,
AKOS009250287,
NE24906,
Z2737910197,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number