6-Chloro-2-fluoro-3-methylbenzoic Acid - CAS 32890-90-7
Catalog: |
BB021463 |
Product Name: |
6-Chloro-2-fluoro-3-methylbenzoic Acid |
CAS: |
32890-90-7 |
Synonyms: |
6-chloro-2-fluoro-3-methylbenzoic acid; 6-chloro-2-fluoro-3-methylbenzoic acid |
IUPAC Name: | 6-chloro-2-fluoro-3-methylbenzoic acid |
Description: | 6-Chloro-2-fluoro-3-methylbenzoic Acid (CAS# 32890-90-7) is a useful research chemical. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6ClFO2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)Cl)C(=O)O)F |
InChI: | InChI=1S/C8H6ClFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12) |
InChI Key: | HLQCBMOWEQKVBL-UHFFFAOYSA-N |
Boiling Point: | 279.7 °C at 760 mmHg |
Density: | 1.403 g/cm3 |
MDL: | MFCD01631369 |
LogP: | 2.48570 |
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-2019088016-A1 | Pharmaceutical composition administered in combination with substituted dihydropyrrolopyrazole compound and immunotherapeutic agent | 20171030 |
EP-3705124-A1 | Pharmaceutical composition administered in combination with substituted dihydropyrrolopyrazole compound and immunotherapeutic agent | 20171030 |
JP-WO2019088016-A1 | Pharmaceutical composition administered in combination with a substituted dihydropyrrolopyrazole compound and an immunotherapeutic agent | 20171030 |
US-2020262924-A1 | Pharmaceutical composition administered in combination with substituted dihydropyrrolopyrazole compound and immunotherapeutic agent | 20171030 |
US-2020149034-A1 | Methods and Compositions for Synthesis of Encoded Libraries | 20170317 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0040353 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0040353 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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