Methyl 3-fluoro-4-iodobenzoate - CAS 1027513-46-7
Catalog: |
BB000937 |
Product Name: |
Methyl 3-fluoro-4-iodobenzoate |
CAS: |
1027513-46-7 |
Synonyms: |
methyl 3-fluoro-4-iodobenzoate |
IUPAC Name: | methyl 3-fluoro-4-iodobenzoate |
Description: | Methyl 3-fluoro-4-iodobenzoate (CAS# 1027513-46-7 ) is a useful research chemical. |
Molecular Weight: | 280.03 |
Molecular Formula: | C8H6FIO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)I)F |
InChI: | InChI=1S/C8H6FIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3 |
InChI Key: | QLOABIRBPCIWKQ-UHFFFAOYSA-N |
LogP: | 2.21690 |
Publication Number | Title | Priority Date |
CN-111440137-A | 3, 4-benzocoumarin derivative and preparation method and application thereof | 20200428 |
CN-113072476-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
CN-113072542-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.93966 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.93966 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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