3-Chloro-4,5-dimethoxybenzonitrile - CAS 90537-30-7
Catalog: |
BB039879 |
Product Name: |
3-Chloro-4,5-dimethoxybenzonitrile |
CAS: |
90537-30-7 |
Synonyms: |
3-chloro-4,5-dimethoxybenzonitrile |
IUPAC Name: | 3-chloro-4,5-dimethoxybenzonitrile |
Description: | 3-Chloro-4,5-dimethoxybenzonitrile (CAS# 90537-30-7 ) is a useful research chemical. |
Molecular Weight: | 197.62 |
Molecular Formula: | C9H8ClNO2 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C#N)Cl)OC |
InChI: | InChI=1S/C9H8ClNO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,1-2H3 |
InChI Key: | FYVNQNKFUPQFLQ-UHFFFAOYSA-N |
Boiling Point: | 282.4 ℃ at 760 mmHg |
Density: | 1.26 g/cm3 |
MDL: | MFCD02256340 |
LogP: | 2.22888 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
AU-2011209274-A1 | Substituted naphthyridines and their use as Syk kinase inhibitors | 20100129 |
AU-2011209274-B2 | Substituted naphthyridines and their use as Syk kinase inhibitors | 20100129 |
AU-2011209274-B8 | Substituted naphthyridines and their use as Syk kinase inhibitors | 20100129 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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