3-Iodo-2-methylbenzoic Acid - CAS 133232-56-1
Catalog: |
BB007709 |
Product Name: |
3-Iodo-2-methylbenzoic Acid |
CAS: |
133232-56-1 |
Synonyms: |
3-iodo-2-methylbenzoic acid; 3-iodo-2-methylbenzoic acid |
IUPAC Name: | 3-iodo-2-methylbenzoic acid |
Description: | 3-Iodo-2-methylbenzoic Acid (CAS# 133232-56-1) is a useful research chemical. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | CC1=C(C=CC=C1I)C(=O)O |
InChI: | InChI=1S/C8H7IO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) |
InChI Key: | XGNKIHYPOWUMKL-UHFFFAOYSA-N |
Boiling Point: | 341.8 °C at 760 mmHg |
Density: | 1.867 g/cm3 |
Appearance: | Cream powder |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD00270112 |
LogP: | 2.29780 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020392127-A1 | Novel indazole derivatives and pharmaceutical composition for preventing, alleviating or treating cancer containing the same | 20190612 |
CN-109970542-A | Application of the quebrachite in copper catalysis aryl halides hydrolysis | 20190416 |
US-2020109148-A1 | Cardiac sarcomere inhibitors | 20180831 |
WO-2020047447-A1 | Cardiac sarcomere inhibitors | 20180831 |
TW-202023648-A | Cardiac sarcomere inhibitors | 20180831 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.94908 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
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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