2-Chloro-2'-fluoroacetophenone - CAS 53688-17-8
Catalog: |
BB028323 |
Product Name: |
2-Chloro-2'-fluoroacetophenone |
CAS: |
53688-17-8 |
Synonyms: |
2-chloro-1-(2-fluorophenyl)ethanone; 2-chloro-1-(2-fluorophenyl)ethanone |
IUPAC Name: | 2-chloro-1-(2-fluorophenyl)ethanone |
Description: | 2-Chloro-2'-fluoroacetophenone (CAS# 53688-17-8) is 2-fluoro substituted α-chloro acetophenone used as a synthetic intermediate for neurologically active pharmaceutical compounds. |
Molecular Weight: | 172.58 |
Molecular Formula: | C8H6ClFO |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)CCl)F |
InChI: | InChI=1S/C8H6ClFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2 |
InChI Key: | XIRBMNOJVJCHTR-UHFFFAOYSA-N |
LogP: | 2.24720 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10093640-B2 | Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors | 20120921 |
US-2015336925-A1 | Substituted benzofuran, benzothiophene and indole mcl-1 inhibitors | 20120921 |
US-2018312485-A1 | Substituted benzofuran, benzothiophene and indole mcl-1 inhibitors | 20120921 |
WO-2014047427-A2 | Substituted benzofuran, benzothiophene and indole mcl-1 inhibitors | 20120921 |
US-10844032-B2 | Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors | 20120921 |
Complexity: | 149 |
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: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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