2-Iodo-1,3-dimethoxybenzene - CAS 16932-44-8
Catalog: |
BB012535 |
Product Name: |
2-Iodo-1,3-dimethoxybenzene |
CAS: |
16932-44-8 |
Synonyms: |
2-iodo-1,3-dimethoxybenzene |
IUPAC Name: | 2-iodo-1,3-dimethoxybenzene |
Description: | 2-Iodo-1,3-dimethoxybenzene (CAS# 16932-44-8) is a useful research chemical. |
Molecular Weight: | 264.06 |
Molecular Formula: | C8H9IO2 |
Canonical SMILES: | COC1=C(C(=CC=C1)OC)I |
InChI: | InChI=1S/C8H9IO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3 |
InChI Key: | WCYZALIKRBYPOM-UHFFFAOYSA-N |
MDL: | MFCD05865214 |
LogP: | 2.30840 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21583496 | 20090708 | 2-Iodo-1,3-dimethoxy-benzene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.96473 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.96473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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