1,5-Dichloro-2-difluoromethoxy-3-nitrobenzene - CAS 1245772-52-4
Catalog: |
BB051610 |
Product Name: |
1,5-Dichloro-2-difluoromethoxy-3-nitrobenzene |
CAS: |
1245772-52-4 |
Synonyms: |
2-(difluoromethoxy)-3,5-dichloro-1-nitrobenzene |
IUPAC Name: | 1,5-dichloro-2-(difluoromethoxy)-3-nitrobenzene |
Molecular Weight: | 258.00 |
Molecular Formula: | C7H3Cl2F2NO3 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])OC(F)F)Cl)Cl |
InChI: | InChI=1S/C7H3Cl2F2NO3/c8-3-1-4(9)6(15-7(10)11)5(2-3)12(13)14/h1-2,7H |
InChI Key: | VWSJMZBIFPVBFW-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.9458047 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.9458047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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