| CAS Number | 72908-02-2 |
| Catalog Number | AG019PKB |
| Chemical Name | (4-Chloro-2-methyl-3,5-dinitrophenyl)methanol |
| IUPAC Name | (4-chloro-2-methyl-3,5-dinitrophenyl)methanol |
| InChI | InChI=1S/C8H7ClN2O5/c1-4-5(3-12)2-6(10(13)14)7(9)8(4)11(15)16/h2,12H,3H2,1H3 |
| InChI Key | SJNNZMBYMXBMSS-UHFFFAOYSA-N |
| MDL Number | MFCD07852067 |
| Molecular Formula | C8H7ClN2O5 |
| Molecular Weight | 246.6046 |
| SMILES | CC1=C([N+]([O-])=O)C(Cl)=C([N+]([O-])=O)C=C1CO |
| Synonyms | (4-chloro-2-methyl-3,5-dinitrophenyl)methanol,
72908-02-2,
AC1PKYW3,
AC1Q2DHJ,
SCHEMBL11565759,
CTK8A2438,
SJNNZMBYMXBMSS-UHFFFAOYSA-N,
ZINC7989021,
AKOS001214948,
MCULE-4800889577,
NE42075,
4-chloro-2-methyl-3,5-dinitrobenzyl alcohol,
EN300-24067,
ZINC07989021,
CID9118391,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.603g/mol |
| Monoisotopic Mass | 246.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number