2-(2,2-Difluoroethoxy)-1-methoxy-4-nitrobenzene - CAS 1795480-23-7
Catalog: |
BB052453 |
Product Name: |
2-(2,2-Difluoroethoxy)-1-methoxy-4-nitrobenzene |
CAS: |
1795480-23-7 |
Synonyms: |
2-(2,2-difluoroethoxy)-1-methoxy-4-nitrobenzene |
IUPAC Name: | 2-(2,2-difluoroethoxy)-1-methoxy-4-nitrobenzene |
Molecular Weight: | 233.17 |
Molecular Formula: | C9H9F2NO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(F)F |
InChI: | InChI=1S/C9H9F2NO4/c1-15-7-3-2-6(12(13)14)4-8(7)16-5-9(10)11/h2-4,9H,5H2,1H3 |
InChI Key: | MBRMEFBUONQHRO-UHFFFAOYSA-N |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.04996409 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.04996409 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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