| CAS Number | 1208074-91-2 |
| Catalog Number | AG0080TP(AGN-PC-08XZBB) |
| Chemical Name | 2-Ethoxy-3-nitrotoluene |
| IUPAC Name | 2-ethoxy-1-methyl-3-nitrobenzene |
| InChI | InChI=1S/C9H11NO3/c1-3-13-9-7(2)5-4-6-8(9)10(11)12/h4-6H,3H2,1-2H3 |
| InChI Key | BZFRQLCKEVHCTC-UHFFFAOYSA-N |
| MDL Number | MFCD12547885 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | C1(C)=CC=CC([N+]([O-])=O)=C1OCC |
| Synonyms | 2-Ethoxy-3-nitrotoluene,
1208074-91-2,
2-ethoxy-1-methyl-3-nitrobenzene,
3-Nitro-2-ethoxytoluene,
ACMC-209a8f,
SCHEMBL16956854,
CTK8A9430,
DTXSID40679259,
1-Nitro-2-ethoxy-3-methylbenzene,
ANW-17533,
MFCD12547885,
ZINC40571697,
AKOS006346338,
TC-106278,
Z8256,
B-8971,
C9H11NO3,
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| Complexity | 178 |
| 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 | 2 |
| 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