Ethyl 3,5-dichloro-2-iodobenzoate - CAS 939989-95-4
Catalog: |
BB063298 |
Product Name: |
Ethyl 3,5-dichloro-2-iodobenzoate |
CAS: |
939989-95-4 |
Synonyms: |
Ethyl 3,5-dichloro-2-iodobenzoate; Ethyl3,5-dichloro-2-iodobenzoate |
IUPAC Name: | ethyl 3,5-dichloro-2-iodobenzoate |
Description: | Ethyl 3,5-dichloro-2-iodobenzoate |
Molecular Weight: | 344.96 |
Molecular Formula: | C9H7Cl2IO2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=CC(=C1)Cl)Cl)I |
InChI: | InChI=1S/C9H7Cl2IO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2H2,1H3 |
InChI Key: | MFQGEKJJKUWWHN-UHFFFAOYSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.88678 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.88678 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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