2-fluoro-6-methylbenzoic acid - CAS 90259-27-1
Catalog: |
BB039799 |
Product Name: |
2-fluoro-6-methylbenzoic acid |
CAS: |
90259-27-1 |
Synonyms: |
2-fluoro-6-methylbenzoic acid; 2-fluoro-6-methylbenzoic acid |
IUPAC Name: | 2-fluoro-6-methylbenzoic acid |
Description: | 2-fluoro-6-methylbenzoic acid (CAS# 90259-27-1) is a useful research chemical. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | CC1=C(C(=CC=C1)F)C(=O)O |
InChI: | InChI=1S/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | WELNSIYTQJSNRP-UHFFFAOYSA-N |
Boiling Point: | 257.715 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.259 g/cm3 |
MDL: | MFCD06658162 |
LogP: | 1.83230 |
GHS Hazard Statement: | H302 (96.55%): 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 |
JP-2021134343-A | A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture. | 20200227 |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
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: | 1.8 |
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