| CAS Number | 97655-37-3 |
| Catalog Number | AG01BA5N(AGN-PC-03E731) |
| Chemical Name | 1-Chloro-5-methoxy-4-methyl-2-nitrobenzene |
| IUPAC Name | 1-chloro-5-methoxy-4-methyl-2-nitrobenzene |
| InChI | InChI=1S/C8H8ClNO3/c1-5-3-7(10(11)12)6(9)4-8(5)13-2/h3-4H,1-2H3 |
| InChI Key | FXLCIMYSCRAJQI-UHFFFAOYSA-N |
| MDL Number | MFCD28364383 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | COC1=C(C)C=C([N+]([O-])=O)C(Cl)=C1 |
| Synonyms | 1-chloro-5-methoxy-4-methyl-2-nitrobenzene,
97655-37-3,
SCHEMBL4132806,
FXLCIMYSCRAJQI-UHFFFAOYSA-N,
5-Chloro-2-methyl-4-nitroanisole,
ZINC165830988,
2-chloro-4-methoxy-5-methylnitrobenzene,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number