3-Methoxy-4-(trifluoromethyl)benzaldehyde - CAS 945003-38-3
Catalog: |
BB041392 |
Product Name: |
3-Methoxy-4-(trifluoromethyl)benzaldehyde |
CAS: |
945003-38-3 |
Synonyms: |
3-methoxy-4-(trifluoromethyl)benzaldehyde; 3-methoxy-4-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 3-methoxy-4-(trifluoromethyl)benzaldehyde |
Description: | 3-Methoxy-4-(trifluoromethyl)benzaldehyde (CAS# 945003-38-3) is a useful reactant for the preparation of 2-methoxyacylhydrazones as selective PDE10A inhibitors. |
Molecular Weight: | 204.15 |
Molecular Formula: | C9H7F3O2 |
Canonical SMILES: | COC1=C(C=CC(=C1)C=O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O2/c1-14-8-4-6(5-13)2-3-7(8)9(10,11)12/h2-5H,1H3 |
InChI Key: | XIRCMFYUQKUYJZ-UHFFFAOYSA-N |
MDL: | MFCD11110997 |
LogP: | 2.52650 |
Publication Number | Title | Priority Date |
WO-2020148354-A1 | Substituted chromen-4-one for the treatment and prophylaxis of hepatitis b virus infection | 20190117 |
CN-113301959-A | Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection | 20190117 |
WO-2020012423-A1 | Thiadiazine derivatives | 20180713 |
EP-3820865-A1 | Thiadiazine derivatives | 20180713 |
US-2018170942-A1 | Polycyclic derivatives targeting ral gtpases and their therapeutical applications | 20150616 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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