4-Fluoro-3-methylbenzoyl chloride - CAS 455-84-5
Catalog: |
BB025934 |
Product Name: |
4-Fluoro-3-methylbenzoyl chloride |
CAS: |
455-84-5 |
Synonyms: |
4-fluoro-3-methylbenzoyl chloride |
IUPAC Name: | 4-fluoro-3-methylbenzoyl chloride |
Description: | 4-Fluoro-3-methylbenzoyl Chloride can be used as medicinal compositions as p38MAP kinases and/or TNF-α production inhibitor for pain. |
Molecular Weight: | 172.58 |
Molecular Formula: | C8H6ClFO |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)Cl)F |
InChI: | InChI=1S/C8H6ClFO/c1-5-4-6(8(9)11)2-3-7(5)10/h2-4H,1H3 |
InChI Key: | FMFLKTDRPXYUGP-UHFFFAOYSA-N |
Boiling Point: | 113 °C (20 torr) |
Density: | 1.215 g/cm3 |
MDL: | MFCD01631426 |
LogP: | 2.51310 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019074747-A1 | NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) | 20171009 |
EP-3694502-A1 | Novel substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171009 |
US-2020277252-A1 | Novel substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171009 |
AU-2017322427-A1 | Pyrazolopyridine derivatives as HPK1 modulators and uses thereof for the treatment of cancer | 20160909 |
CA-3036358-A1 | Pyrazolopyridine derivatives as hpk1 modulators and uses thereof for the treatment of cancer | 20160909 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0091207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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