2-Fluoro-5-nitrobenzaldehyde - CAS 27996-87-8
Catalog: |
BB019731 |
Product Name: |
2-Fluoro-5-nitrobenzaldehyde |
CAS: |
27996-87-8 |
Synonyms: |
2-fluoro-5-nitrobenzaldehyde |
IUPAC Name: | 2-fluoro-5-nitrobenzaldehyde |
Description: | 2-Fluoro-5-nitrobenzaldehyde (CAS# 27996-87-8) is a useful research chemical. |
Molecular Weight: | 169.11 |
Molecular Formula: | C7H4FNO3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C=O)F |
InChI: | InChI=1S/C7H4FNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H |
InChI Key: | VVXFDFQEIRGULC-UHFFFAOYSA-N |
Boiling Point: | 269.7 ℃ at 760 mmHg |
Density: | 1.443 g/cm3 |
MDL: | MFCD00042298 |
LogP: | 2.06960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149881-A | Chiral derivatization reagent and preparation method and application thereof | 20210304 |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2020102574-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.01752115 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.01752115 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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