2'-Fluoro-5'-nitroacetophenone - CAS 79110-05-7
Catalog: |
BB036291 |
Product Name: |
2'-Fluoro-5'-nitroacetophenone |
CAS: |
79110-05-7 |
Synonyms: |
1-(2-fluoro-5-nitrophenyl)ethanone; 1-(2-fluoro-5-nitrophenyl)ethanone |
IUPAC Name: | 1-(2-fluoro-5-nitrophenyl)ethanone |
Description: | 2'-Fluoro-5'-nitroacetophenone (CAS# 79110-05-7) is a useful research chemical. |
Molecular Weight: | 183.14 |
Molecular Formula: | C8H6FNO3 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F |
InChI: | InChI=1S/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3 |
InChI Key: | BCXOSCQTHVTUET-UHFFFAOYSA-N |
Boiling Point: | 241 °C at 760 mmHg |
Density: | 1.336 g/cm3 |
MDL: | MFCD00277867 |
LogP: | 2.45970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112094248-A | Substituted benzothiazole compound and application thereof | 20200917 |
CN-113150009-A | Heterocyclic compounds with programmed cell necrosis pathway inhibition activity and application thereof | 20200107 |
WO-2021038241-A1 | Triazine derivatives for treating diseases relating to neurotrophins | 20190829 |
WO-2020264420-A1 | Heterocyclic kinase inhibitors and products and uses thereof | 20190628 |
CN-108997328-B | Iminothiadiazine dioxide derivatives and their use | 20180906 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.03317122 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.03317122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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