Methyl 3-Amino-4-iodobenzoate - CAS 412947-54-7
Catalog: |
BB024849 |
Product Name: |
Methyl 3-Amino-4-iodobenzoate |
CAS: |
412947-54-7 |
Synonyms: |
3-amino-4-iodobenzoic acid methyl ester; methyl 3-amino-4-iodobenzoate |
IUPAC Name: | methyl 3-amino-4-iodobenzoate |
Description: | Methyl 3-Amino-4-iodobenzoate (CAS# 412947-54-7) is a useful research chemical. |
Molecular Weight: | 277.06 |
Molecular Formula: | C8H8INO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)I)N |
InChI: | InChI=1S/C8H8INO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3 |
InChI Key: | WJEBNIVVLJEIKE-UHFFFAOYSA-N |
Boiling Point: | 344.269 °C at 760 mmHg |
Density: | 1.827 g/cm3 |
MDL: | MFCD08064225 |
LogP: | 2.24120 |
Publication Number | Title | Priority Date |
WO-2021191240-A1 | Combination therapy | 20200324 |
CN-111484503-A | Mikanolide derivative and preparation method and application thereof | 20200110 |
US-2021228562-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.95998 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.95998 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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