4-Chloro-3-(trifluoromethoxy)benzaldehyde - CAS 886499-59-8
Catalog: |
BB039108 |
Product Name: |
4-Chloro-3-(trifluoromethoxy)benzaldehyde |
CAS: |
886499-59-8 |
Synonyms: |
4-chloro-3-(trifluoromethoxy)benzaldehyde; 4-chloro-3-(trifluoromethoxy)benzaldehyde |
IUPAC Name: | 4-chloro-3-(trifluoromethoxy)benzaldehyde |
Description: | 4-Chloro-3-(trifluoromethoxy)benzaldehyde (CAS# 886499-59-8) is a useful research chemical. |
Molecular Weight: | 224.56 |
Molecular Formula: | C8H4ClF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C=O)OC(F)(F)F)Cl |
InChI: | InChI=1S/C8H4ClF3O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-4H |
InChI Key: | XOHOCMBXDFQWDF-UHFFFAOYSA-N |
MDL: | MFCD06660219 |
LogP: | 3.05110 |
Publication Number | Title | Priority Date |
CN-108059590-A | A kind of preparation method of 3- trifluoromethoxies -4- chlorobenzaldehydes | 20171214 |
AU-2016245914-B2 | Bicyclic quinazolinone derivatives | 20150410 |
CA-2975664-A1 | Bicyclic quinazolinone derivatives | 20150410 |
CN-107428754-A | Two ring Quinazol derivatives | 20150410 |
EP-3280707-A1 | Bicyclic quinazolinone derivatives | 20150410 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9851915 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9851915 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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