2-Chloro-3-methylbenzaldehyde - CAS 61563-28-8
Catalog: |
BB031181 |
Product Name: |
2-Chloro-3-methylbenzaldehyde |
CAS: |
61563-28-8 |
Synonyms: |
2-chloro-3-methylbenzaldehyde; 2-chloro-3-methylbenzaldehyde |
IUPAC Name: | 2-chloro-3-methylbenzaldehyde |
Description: | 2-Chloro-3-methylbenzaldehyde (CAS# 61563-28-8 ) is a useful research chemical. |
Molecular Weight: | 154.59 |
Molecular Formula: | C8H7ClO |
Canonical SMILES: | CC1=CC=CC(=C1Cl)C=O |
InChI: | InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3 |
InChI Key: | LGOLMLQWRYFRHP-UHFFFAOYSA-N |
Boiling Point: | 228.394 °C at 760 mmHg |
Density: | 1.195 g/cm3 |
LogP: | 2.46090 |
Publication Number | Title | Priority Date |
WO-2021022061-A1 | Aryl hydrocarbon receptor activators | 20190730 |
WO-2019134985-A1 | Octahydropyrido[1,2-alpha]pyrazines as magl inhibitors | 20180108 |
EP-3737680-A1 | Octahydropyrido[1,2-alpha]pyrazines as magl inhibitors | 20180108 |
US-2021024546-A1 | Octahydropyrido[1,2-alpha]pyrazines as magl inhibitors | 20180108 |
CN-108530297-B | Preparation method of 2-chloro-3-methylbenzoic acid and intermediate thereof | 20170303 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0185425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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