4-Iodophenyl acetate - CAS 33527-94-5
Catalog: |
BB054414 |
Product Name: |
4-Iodophenyl acetate |
CAS: |
33527-94-5 |
Synonyms: |
4-iodophenylacetate; 4-acetoxyiodobenzene |
IUPAC Name: | (4-iodophenyl) acetate |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | CC(=O)OC1=CC=C(C=C1)I |
InChI: | InChI=1S/C8H7IO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3 |
InChI Key: | MXHYFISNECFQHA-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.94908 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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