4-Nitro-1,3-dihydroisobenzofuran - CAS 98475-08-2
Catalog: |
BB042170 |
Product Name: |
4-Nitro-1,3-dihydroisobenzofuran |
CAS: |
98475-08-2 |
Synonyms: |
4-nitro-1,3-dihydroisobenzofuran; 4-nitro-1,3-dihydro-2-benzofuran |
IUPAC Name: | 4-nitro-1,3-dihydro-2-benzofuran |
Description: | 4-Nitro-1,3-dihydroisobenzofuran (CAS# 98475-08-2 ) is a useful research chemical. |
Molecular Weight: | 165.15 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | C1C2=C(CO1)C(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO3/c10-9(11)8-3-1-2-6-4-12-5-7(6)8/h1-3H,4-5H2 |
InChI Key: | QQVSXIZLVKBYTP-UHFFFAOYSA-N |
LogP: | 2.14820 |
Publication Number | Title | Priority Date |
WO-2020210828-A1 | (aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions | 20190412 |
CN-106749203-A | A kind of pyrimidine heterocyclic compounds, miazines heterocyclic compound salts and preparation method and application | 20161128 |
CN-106749203-B | Pyrimidine heterocyclic compound, pyrimidine heterocyclic compound salt, preparation method and application | 20161128 |
AU-2015371137-A1 | Azoline compounds substituted by a condensed ring system | 20141222 |
AU-2015371137-B2 | Azoline compounds substituted by a condensed ring system | 20141222 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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