2-Cyano-4'-fluoroacetanilide - CAS 1735-88-2
Catalog: |
BB012935 |
Product Name: |
2-Cyano-4'-fluoroacetanilide |
CAS: |
1735-88-2 |
Synonyms: |
2-cyano-N-(4-fluorophenyl)acetamide; 2-cyano-N-(4-fluorophenyl)acetamide |
IUPAC Name: | 2-cyano-N-(4-fluorophenyl)acetamide |
Description: | 2-Cyano-4'-fluoroacetanilide (CAS# 1735-88-2) is a useful research chemical. |
Molecular Weight: | 178.16 |
Molecular Formula: | C9H7FN2O |
Canonical SMILES: | C1=CC(=CC=C1NC(=O)CC#N)F |
InChI: | InChI=1S/C9H7FN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13) |
InChI Key: | GZWVZXOFWQGSRB-UHFFFAOYSA-N |
Boiling Point: | 396.8 ℃ at 760 mmHg |
Density: | 1.304 g/cm3 |
LogP: | 1.75088 |
Publication Number | Title | Priority Date |
WO-2020048455-A1 | Trk inhibitor as anti-cancer drug | 20180903 |
EP-3848365-A1 | Trk inhibitor as anti-cancer drug | 20180903 |
KR-20210054548-A | TRK inhibitors as anticancer drugs | 20180903 |
WO-2019182274-A1 | Thienopyridine derivatives and pharmaceutical composition comprising same | 20180308 |
US-2021317133-A1 | Thienopyridine derivatives and pharmaceutical composition comprising same | 20180308 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.05424101 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.05424101 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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