methyl 2,2-difluoro-7-iodo-2H-1,3-benzodioxole-5-carboxylate - CAS 1298047-55-8
Catalog: |
BB007021 |
Product Name: |
methyl 2,2-difluoro-7-iodo-2H-1,3-benzodioxole-5-carboxylate |
CAS: |
1298047-55-8 |
Synonyms: |
2,2-difluoro-7-iodo-1,3-benzodioxole-5-carboxylic acid methyl ester; methyl 2,2-difluoro-7-iodo-1,3-benzodioxole-5-carboxylate |
IUPAC Name: | methyl 2,2-difluoro-7-iodo-1,3-benzodioxole-5-carboxylate |
Description: | methyl 2,2-difluoro-7-iodo-2H-1,3-benzodioxole-5-carboxylate (CAS# 1298047-55-8 ) is a useful research chemical. |
Molecular Weight: | 342.036 |
Molecular Formula: | C9H5F2IO4 |
Canonical SMILES: | COC(=O)C1=CC2=C(C(=C1)I)OC(O2)(F)F |
InChI: | InChI=1S/C9H5F2IO4/c1-14-8(13)4-2-5(12)7-6(3-4)15-9(10,11)16-7/h2-3H,1H3 |
InChI Key: | PKBPVMAEUGLOER-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2010313162-A1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
CA-2779268-A1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
EP-2496556-A1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
EP-2496556-B1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
KR-20120101429-A | Acylamino-substituted cyclic carboxylic acid derivatives and their use as medicaments | 20091102 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 341.92006 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 341.92006 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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