| CAS Number | 441-31-6 |
| Catalog Number | AG00I8DW(AGN-PC-0WRAC2) |
| Chemical Name | 1,5-Difluoro-2-methoxy-3-nitrobenzene |
| IUPAC Name | 1,5-difluoro-2-methoxy-3-nitrobenzene |
| InChI | InChI=1S/C7H5F2NO3/c1-13-7-5(9)2-4(8)3-6(7)10(11)12/h2-3H,1H3 |
| InChI Key | JLIOVJNEVORVCL-UHFFFAOYSA-N |
| MDL Number | MFCD06656242 |
| Molecular Formula | C7H5F2NO3 |
| Molecular Weight | 189.1163 |
| SMILES | COc1c(F)cc(cc1[N+](=O)[O-])F |
| Synonyms | 1,5-difluoro-2-methoxy-3-nitrobenzene,
441-31-6,
2,4-Difluoro-6-nitroanisole,
ZINC75880525,
AKOS006295353,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.118g/mol |
| Monoisotopic Mass | 189.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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