| CAS Number | 1393442-37-9 |
| Catalog Number | AG009X6C(AGN-PC-0WNWPT) |
| Chemical Name | 2-Chloro-3,4-dimethoxy-1-nitrobenzene |
| IUPAC Name | 3-chloro-1,2-dimethoxy-4-nitrobenzene |
| InChI | InChI=1S/C8H8ClNO4/c1-13-6-4-3-5(10(11)12)7(9)8(6)14-2/h3-4H,1-2H3 |
| InChI Key | BYVZLDRFSQXIEM-UHFFFAOYSA-N |
| MDL Number | MFCD22383662 |
| Molecular Formula | C8H8ClNO4 |
| Molecular Weight | 217.6064 |
| SMILES | COc1c(OC)ccc(c1Cl)[N+](=O)[O-] |
| Synonyms | 2-Chloro-3,4-dimethoxy-1-nitrobenzene,
1393442-37-9,
ZINC95494780,
AKOS026673188,
V2944,
B-8430,
C8H8ClNO4,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.605g/mol |
| Monoisotopic Mass | 217.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number