2-(Difluoromethoxy)-1-methoxy-4-nitrobenzene - CAS 57213-27-1
Catalog: |
BB051727 |
Product Name: |
2-(Difluoromethoxy)-1-methoxy-4-nitrobenzene |
CAS: |
57213-27-1 |
Synonyms: |
2-(Difluoromethoxy)-4-nitroanisole |
IUPAC Name: | 2-(difluoromethoxy)-1-methoxy-4-nitrobenzene |
Molecular Weight: | 219.14 |
Molecular Formula: | C8H7F2NO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)[N+](=O)[O-])OC(F)F |
InChI: | InChI=1S/C8H7F2NO4/c1-14-6-3-2-5(11(12)13)4-7(6)15-8(9)10/h2-4,8H,1H3 |
InChI Key: | JIHPCRDGMVWPKO-UHFFFAOYSA-N |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.03431403 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.03431403 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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