| CAS Number | 50536-74-8 |
| Catalog Number | AG01BEK1(AGN-PC-00MXDP) |
| Chemical Name | 2-Methoxy-1,3-dimethyl-4-nitrobenzene |
| IUPAC Name | 2-methoxy-1,3-dimethyl-4-nitrobenzene |
| InChI | InChI=1S/C9H11NO3/c1-6-4-5-8(10(11)12)7(2)9(6)13-3/h4-5H,1-3H3 |
| InChI Key | YYYBGZOTNZNBRB-UHFFFAOYSA-N |
| MDL Number | MFCD11036252 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC1=C(C)C([N+]([O-])=O)=CC=C1C |
| Synonyms | 2-methoxy-1,3-dimethyl-4-nitrobenzene,
2,6-dimethyl-3-nitroanisole,
50536-74-8,
SCHEMBL6275780,
SCHEMBL8300141,
CTK1G6542,
DTXSID20543025,
YYYBGZOTNZNBRB-UHFFFAOYSA-N,
ZINC34079892,
AKOS006238095,
NE61646,
Benzene, 2-methoxy-1,3-dimethyl-4-nitro-,
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| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number