2-Chloro-4,5-dimethoxybenzaldehyde - CAS 18093-05-5
Catalog: |
BB013776 |
Product Name: |
2-Chloro-4,5-dimethoxybenzaldehyde |
CAS: |
18093-05-5 |
Synonyms: |
2-chloro-4,5-dimethoxybenzaldehyde; 2-chloro-4,5-dimethoxybenzaldehyde |
IUPAC Name: | 2-chloro-4,5-dimethoxybenzaldehyde |
Description: | 2-Chloro-4,5-dimethoxybenzaldehyde (CAS# 18093-05-5) is a useful research chemical. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C=O)Cl)OC |
InChI: | InChI=1S/C9H9ClO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3 |
InChI Key: | KTLBJNXLHDMIRZ-UHFFFAOYSA-N |
Boiling Point: | 303.6 ℃ at 760 mmHg |
Density: | 1.245 g/cm3 |
LogP: | 2.16970 |
Publication Number | Title | Priority Date |
WO-2019226931-A1 | Penicillin-binding protein inhibitors | 20180525 |
CN-112469725-A | Penicillin binding protein inhibitors | 20180525 |
EP-3802551-A1 | Penicillin-binding protein inhibitors | 20180525 |
US-2021198288-A1 | Penicillin-binding protein inhibitors | 20180525 |
US-10287226-B2 | Mild catalytic reduction of Câ€"O bonds and Câ•?O bonds using a recyclable catalyst system | 20141030 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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