4-(3-Chlorophenoxy)benzaldehyde - CAS 164522-90-1
Catalog: |
BB012117 |
Product Name: |
4-(3-Chlorophenoxy)benzaldehyde |
CAS: |
164522-90-1 |
Synonyms: |
4-(3-chlorophenoxy)benzaldehyde |
IUPAC Name: | 4-(3-chlorophenoxy)benzaldehyde |
Description: | 4-(3-Chlorophenoxy)benzaldehyde (CAS# 164522-90-1 ) is a useful research chemical. |
Molecular Weight: | 232.66 |
Molecular Formula: | C13H9ClO2 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C13H9ClO2/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-9H |
InChI Key: | BGMYGFFWBQIXHN-UHFFFAOYSA-N |
Boiling Point: | 350.272 ℃ at 760 mmHg |
Density: | 1.235 g/mL at 25 ℃ |
MDL: | MFCD07365211 |
LogP: | 3.94480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P280, P285, P301+P312, P304+P341, P305+P351+P338, P330, P337+P313, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110317200-A | Pyrimidine compound and application thereof | 20180328 |
CN-110317200-B | Pyrimidinium compounds and uses thereof | 20180328 |
AU-2018236161-A1 | Dual MAGL and FAAH inhibitors | 20170313 |
BR-112019018879-A2 | dual magl and faah inhibitors | 20170313 |
CA-3056076-A1 | Dual magl and faah inhibitors | 20170313 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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