4-Iodobenzyloxybenzene - CAS 19578-68-8
Catalog: |
BB015173 |
Product Name: |
4-Iodobenzyloxybenzene |
CAS: |
19578-68-8 |
Synonyms: |
1-iodo-4-phenylmethoxybenzene |
IUPAC Name: | 1-iodo-4-phenylmethoxybenzene |
Description: | 4-Iodobenzyloxybenzene (CAS# 19578-68-8) is a research reagent used in the synthesis and biological evaluation of GPR40 agonist with nitrogen heterocyclic rings. A pharmaceutical intermediate. |
Molecular Weight: | 310.13 |
Molecular Formula: | C13H11IO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=C(C=C2)I |
InChI: | InChI=1S/C13H11IO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2 |
InChI Key: | MPWFGAWFTAZWKZ-UHFFFAOYSA-N |
Boiling Point: | 140 ℃ / 1 mmHg |
Density: | 1.58 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00079704 |
LogP: | 3.87020 |
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-113024520-A | Synthesis method of ketoconazole metabolite | 20210330 |
CN-112851561-A | NR6A1 protein receptor inhibitor and preparation and application thereof | 20210129 |
US-10604489-B2 | Compounds for the treatment of pain | 20180205 |
US-2019241524-A1 | Compounds for the treatment of pain | 20180205 |
WO-2019152946-A1 | Compounds for the treatment of pain | 20180205 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.98546 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.98546 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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