Methyl 3-iodo-4-methoxybenzoate - CAS 35387-93-0
Catalog: |
BB022629 |
Product Name: |
Methyl 3-iodo-4-methoxybenzoate |
CAS: |
35387-93-0 |
Synonyms: |
methyl 3-iodo-4-methoxybenzoate |
IUPAC Name: | methyl 3-iodo-4-methoxybenzoate |
Description: | Methyl 3-iodo-4-methoxybenzoate (CAS# 35387-93-0) is a useful research chemical. |
Molecular Weight: | 292.07 |
Molecular Formula: | C9H9IO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)OC)I |
InChI: | InChI=1S/C9H9IO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3 |
InChI Key: | GHNGBFHLUOJHKP-UHFFFAOYSA-N |
Boiling Point: | 340.1 ℃ at 760 mmHg |
Melting Point: | 93-95 ℃ |
Purity: | 98 % |
Density: | 1.684 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00052925 |
LogP: | 2.08640 |
Publication Number | Title | Priority Date |
WO-2020108659-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
EP-3189042-A1 | Tetrahydroisoquinoline derived prmt5-inhibitors | 20140903 |
US-10647708-B2 | Tetrahydroisoquinoline derived PRMT5-inhibitors | 20140903 |
US-2017283407-A1 | Tetrahydroisoquinoline derived prmt5-inhibitors | 20140903 |
WO-2016034675-A1 | Tetrahydroisoquinoline derived prmt5-inhibitors | 20140903 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.95964 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.95964 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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