| CAS Number | 1330750-45-2 |
| Catalog Number | AG00147M(AGN-PC-0WCCQA) |
| Chemical Name | 3-Chloro-4-methyl-2,6-dinitrophenol |
| IUPAC Name | 3-chloro-4-methyl-2,6-dinitrophenol |
| InChI | InChI=1S/C7H5ClN2O5/c1-3-2-4(9(12)13)7(11)6(5(3)8)10(14)15/h2,11H,1H3 |
| InChI Key | SSFPPEHPQLGLCK-UHFFFAOYSA-N |
| MDL Number | MFCD19981505 |
| Molecular Formula | C7H5ClN2O5 |
| Molecular Weight | 232.5780 |
| SMILES | [O-][N+](=O)c1cc(C)c(c(c1O)[N+](=O)[O-])Cl |
| Synonyms | 3-Chloro-4-methyl-2,6-dinitrophenol,
1330750-45-2,
ACMC-209br7,
C7H5ClN2O5,
CTK8B0175,
DTXSID30716687,
ANW-19505,
MFCD19981505,
ZINC74937728,
AKOS015907907,
Phenol, 3-chloro-4-methyl-2,6-dinitro-,
AJ-121427,
AX8228865,
TC-108250,
ST24022839,
Z9686,
I14-25223,
B-7141,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.576g/mol |
| Monoisotopic Mass | 231.989g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number