7-Chloro-2,2-dimethylchroman-4-one - CAS 80055-86-3
Catalog: |
BB036462 |
Product Name: |
7-Chloro-2,2-dimethylchroman-4-one |
CAS: |
80055-86-3 |
Synonyms: |
7-chloro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 7-chloro-2,2-dimethyl-3H-chromen-4-one |
IUPAC Name: | 7-chloro-2,2-dimethyl-3H-chromen-4-one |
Description: | 7-Chloro-2,2-dimethylchroman-4-one (CAS# 80055-86-3 ) is a useful research chemical. |
Molecular Weight: | 210.66 |
Molecular Formula: | C11H11ClO2 |
Canonical SMILES: | CC1(CC(=O)C2=C(O1)C=C(C=C2)Cl)C |
InChI: | InChI=1S/C11H11ClO2/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5H,6H2,1-2H3 |
InChI Key: | AHLCOHDVGKMAIZ-UHFFFAOYSA-N |
LogP: | 3.08380 |
Publication Number | Title | Priority Date |
WO-2012110860-A1 | TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS | 20110217 |
CA-2737768-A1 | Trpv1 antagonists | 20081017 |
CA-2737775-A1 | Trpv1 antagonists | 20081017 |
EP-2352726-A1 | Trpv1 antagonists | 20081017 |
EP-2352727-A1 | Trpv1 antagonists | 20081017 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0447573 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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