3-Fluoro-2-methylbenzoic acid - CAS 699-90-1
Catalog: |
BB034037 |
Product Name: |
3-Fluoro-2-methylbenzoic acid |
CAS: |
699-90-1 |
Synonyms: |
3-fluoro-2-methylbenzoic acid |
IUPAC Name: | 3-fluoro-2-methylbenzoic acid |
Description: | 3-Fluoro-2-methylbenzoic acid (CAS# 699-90-1) is a useful research chemical. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | CC1=C(C=CC=C1F)C(=O)O |
InChI: | InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) |
InChI Key: | XMKZAIHFVHJGPV-UHFFFAOYSA-N |
Boiling Point: | 261.2 ℃ at 760 mmHg |
Melting Point: | 158-160 ℃ |
Purity: | 98 % |
Density: | 1.258 g/cm3 |
MDL: | MFCD00075246 |
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 |
CN-113004241-A | 11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof | 20210305 |
CN-112851501-A | Chemical tracer for fracturing and preparation method and application thereof | 20210122 |
CN-111205223-A | Quinoline derivatives, preparation method and application thereof | 20200303 |
CN-111205223-B | Quinoline derivatives, preparation method and application thereof | 20200303 |
WO-2021175249-A1 | Quinoline derivative, preparation method therefor and use thereof | 20200303 |
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: | 1.9 |
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