Methyl 5-Chloro-2-methylbenzoate - CAS 99585-13-4
Catalog: |
BB042313 |
Product Name: |
Methyl 5-Chloro-2-methylbenzoate |
CAS: |
99585-13-4 |
Synonyms: |
5-chloro-2-methylbenzoic acid methyl ester; methyl 5-chloro-2-methylbenzoate |
IUPAC Name: | methyl 5-chloro-2-methylbenzoate |
Description: | Methyl 5-Chloro-2-methylbenzoate (CAS# 99585-13-4) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)Cl)C(=O)OC |
InChI: | InChI=1S/C9H9ClO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3 |
InChI Key: | HMGNABFNVYLVMD-UHFFFAOYSA-N |
LogP: | 2.43500 |
Publication Number | Title | Priority Date |
WO-2021119753-A1 | Compounds | 20191218 |
WO-2020231739-A2 | Compounds and methods for treating cancer | 20190510 |
WO-2020112716-A1 | Inhibitors of influenza virus replication | 20181126 |
EP-3887355-A1 | Inhibitors of influenza virus replication | 20181126 |
WO-2019233372-A1 | Substituted pyrazolyl pyrazole sulfonamide compound or pesticidally acceptable salt thereof, composition and use thereof | 20180604 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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