Methyl 2-Fluoro-5-methylbenzoate - CAS 2967-93-3
Catalog: |
BB020269 |
Product Name: |
Methyl 2-Fluoro-5-methylbenzoate |
CAS: |
2967-93-3 |
Synonyms: |
2-fluoro-5-methylbenzoic acid methyl ester; methyl 2-fluoro-5-methylbenzoate |
IUPAC Name: | methyl 2-fluoro-5-methylbenzoate |
Description: | Methyl 2-Fluoro-5-methylbenzoate (CAS# 2967-93-3) is a useful research chemical. |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)F)C(=O)OC |
InChI: | InChI=1S/C9H9FO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3 |
InChI Key: | KPJYZNQMHXINEO-UHFFFAOYSA-N |
LogP: | 1.92070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112300169-A | Pyrrolopyrazole derivative, preparation method and medical application thereof | 20190726 |
WO-2021017066-A1 | Pyrrolopyrazole derivative, preparation method therefor, and medical use thereof | 20190726 |
WO-2020229595-A1 | Quinazoline-2,4-dione derivatives as parp inhibitors | 20190514 |
WO-2020198537-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
US-2021032213-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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