Methyl 3-iodobenzoate - CAS 618-91-7
Catalog: |
BB031312 |
Product Name: |
Methyl 3-iodobenzoate |
CAS: |
618-91-7 |
Synonyms: |
methyl 3-iodobenzoate |
IUPAC Name: | methyl 3-iodobenzoate |
Description: | Methyl 3-iodobenzoate (CAS# 618-91-7) is a useful research chemical. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)I |
InChI: | InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 |
InChI Key: | NPXOIGSBRLCOSD-UHFFFAOYSA-N |
Boiling Point: | 292.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.1 g/cm3 |
Appearance: | Pale yellow crystals |
MDL: | MFCD00061093 |
LogP: | 2.07780 |
GHS Hazard Statement: | H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113372184-A | Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy | 20210326 |
CN-112939829-A | Synthetic method of aryl trifluoromethyl thioether | 20210304 |
CN-112300088-A | Synthetic method of 2, 4-dihalogen-6-aryl substituted triazine derivative | 20201126 |
WO-2021178488-A1 | Eif4e inhibitors and uses thereof | 20200303 |
WO-2021155612-A1 | Antimalarial agents | 20200209 |
Complexity: | 147 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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