2-Fluoro-3-methylbenzoic acid - CAS 315-31-1
Catalog: |
BB020963 |
Product Name: |
2-Fluoro-3-methylbenzoic acid |
CAS: |
315-31-1 |
Synonyms: |
Benzoic acid, 2-fluoro-3-methyl-; m-Toluic acid, 2-fluoro-; 2-Fluoro-m-toluic acid; 3-Methyl-2-fluorobenzoic acid |
IUPAC Name: | 2-fluoro-3-methylbenzoic acid |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | CC1=CC=CC(=C1F)C(=O)O |
InChI: | InChI=1S/C8H7FO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | DGNAETGARNTCIL-UHFFFAOYSA-N |
Boiling Point: | 258.4±20.0°C at 760 mmHg |
Melting Point: | 109-110°C |
Purity: | ≥95% |
Density: | 1.258±0.06 g/cm3 |
Appearance: | White to Almost White Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00042504 |
LogP: | 1.83230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021031071-A1 | Amide derivative and use thereof in medicine | 20190819 |
WO-2021018173-A1 | Adenosine receptor antagonist | 20190730 |
WO-2020150626-A1 | Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors | 20190118 |
WO-2020042622-A1 | Compound, composition, and use thereof in preparation of drug | 20180827 |
WO-2019136368-A2 | Methods of treating solid tumors with ccr2 antagonists | 20180108 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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