2-Iodo-5-methylbenzoic acid - CAS 52548-14-8
Catalog: |
BB027864 |
Product Name: |
2-Iodo-5-methylbenzoic acid |
CAS: |
52548-14-8 |
Synonyms: |
2-iodo-5-methylbenzoic acid; 2-iodo-5-methylbenzoic acid |
IUPAC Name: | 2-iodo-5-methylbenzoic acid |
Description: | 2-Iodo-5-methylbenzoic acid (CAS# 52548-14-8) is a useful research chemical. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)I)C(=O)O |
InChI: | InChI=1S/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | INGWGCDYAJKXKP-UHFFFAOYSA-N |
Boiling Point: | 321.4 °C at 760 mmHg |
Density: | 1.867 g/cm3 |
MDL: | MFCD00079765 |
LogP: | 2.29780 |
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-113200908-A | Tertiary amine-containing anthranilamide compound and preparation and application thereof | 20210409 |
CN-112876403-A | Preparation method of apremilast impurity | 20210127 |
EP-3854789-A1 | Macrocyclic compounds useful as chitinase inhibitors | 20200122 |
WO-2021028935-A1 | Heterocyclic compounds, and their use as allosteric modulators of 5-hydroxytryptamine 2c receptor (5-ht2cr) | 20190812 |
US-2021024548-A1 | Boron-containing pharmacophore | 20190725 |
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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