3-Chloro-2-fluorobenzaldehyde - CAS 85070-48-0
Catalog: |
BB037457 |
Product Name: |
3-Chloro-2-fluorobenzaldehyde |
CAS: |
85070-48-0 |
Synonyms: |
3-chloro-2-fluorobenzaldehyde |
IUPAC Name: | 3-chloro-2-fluorobenzaldehyde |
Description: | 3-Chloro-2-fluorobenzaldehyde (CAS# 85070-48-0) is an intermediate used to synthesize small-molecule inhibitors of MDM2-p53 interaction as antitumor agents. It is also used to prepare flavonoid derivatives as selective neuromedin U 2 receptor agonists for obesity treatment. |
Molecular Weight: | 158.56 |
Molecular Formula: | C7H4ClFO |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)F)C=O |
InChI: | InChI=1S/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H |
InChI Key: | YAOZCMANASAVFN-UHFFFAOYSA-N |
Boiling Point: | 214 °C |
Purity: | 98 % |
Density: | 1.35 g/cm3 |
Appearance: | Lightyellowliqui |
Storage: | Refrigerator |
MDL: | MFCD01631571 |
LogP: | 2.29160 |
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 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
WO-2021185291-A1 | Proteolysis regulator and method for using same | 20200317 |
WO-2021165370-A1 | Macrocyclic indole derivatives as inhibitors of mcl-1 | 20200221 |
CN-113150002-A | Organic compound and organic electroluminescent device | 20200122 |
US-2020231591-A1 | Fused ring heteroaryl compounds as alk4/5 inhibitors | 20190122 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9934706 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9934706 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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