Ethyl 3-Fluoro-2-methylbenzoate - CAS 114312-57-1
Catalog: |
BB003384 |
Product Name: |
Ethyl 3-Fluoro-2-methylbenzoate |
CAS: |
114312-57-1 |
Synonyms: |
3-fluoro-2-methylbenzoic acid ethyl ester; ethyl 3-fluoro-2-methylbenzoate |
IUPAC Name: | ethyl 3-fluoro-2-methylbenzoate |
Description: | Ethyl 3-Fluoro-2-methylbenzoate (CAS# 114312-57-1) is a useful research chemical. |
Molecular Weight: | 182.19 |
Molecular Formula: | C10H11FO2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=CC=C1)F)C |
InChI: | InChI=1S/C10H11FO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3 |
InChI Key: | CYBRUQHZUVUAHN-UHFFFAOYSA-N |
Boiling Point: | 230.7 °C at 760 mmHg |
Density: | 1.108 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.31080 |
Publication Number | Title | Priority Date |
JP-2021121581-A | 3- (Pyrazole-1-yl) benzoic acid amide derivative and pest control agent | 20200131 |
WO-2021119753-A1 | Compounds | 20191218 |
CN-111057074-A | Inhibitors of influenza virus replication and uses thereof | 20181017 |
WO-2020078401-A1 | Influenza virus replication inhibitor and uses thereof | 20181017 |
TW-202019889-A | 3-(1H-1,2,4-triazol-1-yl)benzamide derivatives and pest control agents | 20180817 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.07430775 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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