2-Fluorobenzaldehyde dimethyl acetal - CAS 90470-67-0
Catalog: |
BB039861 |
Product Name: |
2-Fluorobenzaldehyde dimethyl acetal |
CAS: |
90470-67-0 |
Synonyms: |
1-(dimethoxymethyl)-2-fluorobenzene |
IUPAC Name: | 1-(dimethoxymethyl)-2-fluorobenzene |
Description: | 2-Fluorobenzaldehyde dimethyl acetal (CAS# 90470-67-0 ) is a useful research chemical. |
Molecular Weight: | 170.18 |
Molecular Formula: | C9H11FO2 |
Canonical SMILES: | COC(C1=CC=CC=C1F)OC |
InChI: | InChI=1S/C9H11FO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3 |
InChI Key: | GHRDHBIBFZLUJM-UHFFFAOYSA-N |
LogP: | 2.11710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2012155916-A1 | Manufacture of lacto-n-tetraose | 20110513 |
US-2009029977-A1 | Dual modulators of 5ht2a and d3 receptors | 20070726 |
US-2012040972-A1 | Dual modulators of 5ht2a and d3 receptors | 20070726 |
US-2013165432-A1 | Dual Modulators of 5HT2A and D3 Receptors | 20070726 |
US-2014350051-A1 | Dual Modulators Of 5HT2A and D3 Receptors | 20070726 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.07430775 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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