4-Iodo-3-methoxybenzenecarboxylic acid - CAS 282087-44-9
Catalog: |
BB060705 |
Product Name: |
4-Iodo-3-methoxybenzenecarboxylic acid |
CAS: |
282087-44-9 |
Synonyms: |
4-Iodo-3-methoxybenzoic acid; 4-iodo-3-methoxybenzenecarboxylic acid; Benzoic acid, 4-iodo-3-methoxy-; 4-Iodo-3-methoxybenzoicacid; 3-Methoxy-4-iodobenzoic acid; 4-iodo-3-(methyloxy)benzoic acid |
IUPAC Name: | 4-iodo-3-methoxybenzoic acid |
Description: | 4-Iodo-3-methoxybenzenecarboxylic acid |
Molecular Weight: | 278.04 |
Molecular Formula: | C8H7IO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C(=O)O)I |
InChI: | InChI=1S/C8H7IO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11) |
InChI Key: | WUGQVHZHKSOODO-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.94399 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.94399 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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