Methyl 4,6-Difluoroindole-2-carboxylate - CAS 394222-99-2
Catalog: |
BB023970 |
Product Name: |
Methyl 4,6-Difluoroindole-2-carboxylate |
CAS: |
394222-99-2 |
Synonyms: |
4,6-difluoro-1H-indole-2-carboxylic acid methyl ester; methyl 4,6-difluoro-1H-indole-2-carboxylate |
IUPAC Name: | methyl 4,6-difluoro-1H-indole-2-carboxylate |
Description: | Methyl 4,6-Difluoroindole-2-carboxylate (CAS# 394222-99-2) is a useful research chemical. |
Molecular Weight: | 211.16 |
Molecular Formula: | C10H7F2NO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C(C=C2N1)F)F |
InChI: | InChI=1S/C10H7F2NO2/c1-15-10(14)9-4-6-7(12)2-5(11)3-8(6)13-9/h2-4,13H,1H3 |
InChI Key: | OQBNNAMXCZSCFC-UHFFFAOYSA-N |
LogP: | 2.23270 |
Publication Number | Title | Priority Date |
AU-2001289749-B2 | Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity | 20000726 |
AU-2001289749-B9 | Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity | 20000726 |
CA-2417192-A1 | Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity | 20000726 |
CN-1452619-A | Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity | 20000726 |
CZ-2003243-A3 | Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity | 20000726 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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