2-Bromo-4-methyl-3-pentanone - CAS 29583-93-5
Catalog: |
BB020246 |
Product Name: |
2-Bromo-4-methyl-3-pentanone |
CAS: |
29583-93-5 |
Synonyms: |
2-bromo-4-methyl-3-pentanone; 2-bromo-4-methylpentan-3-one |
IUPAC Name: | 2-bromo-4-methylpentan-3-one |
Description: | 2-Bromo-4-methyl-3-pentanone (CAS# 29583-93-5 ) is a useful research chemical. |
Molecular Weight: | 179.05 |
Molecular Formula: | C6H11BrO |
Canonical SMILES: | CC(C)C(=O)C(C)Br |
InChI: | InChI=1S/C6H11BrO/c1-4(2)6(8)5(3)7/h4-5H,1-3H3 |
InChI Key: | MLYRFDXHQSQCKA-UHFFFAOYSA-N |
LogP: | 1.99490 |
Publication Number | Title | Priority Date |
WO-2020011921-A1 | P2x3 receptor antagonists | 20180712 |
AU-2019300335-A1 | P2X3 receptor antagonists | 20180712 |
BR-112021000103-A2 | COMPOUND, PHARMACEUTICAL COMPOSITION, AND COMPOUND FOR USE IN THE TREATMENT OR PREVENTION OF PAIN, CHRONIC PAIN AND PAIN FROM CANCER, ADDITION AND TOLERANCE TO ANALGESIC, DISTURBANCES AND RESPIRATORY DYSFUNCTION SELECTED FROM THE THERAPY AND THERAPY, THERAPY, THERAPY AND STRESSED HYPERACTIVE, URINARY INCONTINENCE, PAINFUL BLADDER SYNDROME, DYSURY AND ENDOMETRIOSIS, SELECTED CARDIOVASCULAR DISORDERS BETWEEN IRRITABLE INTESTINE SYNDROME (IBS) AND EARLY MOUTH EYES | 20180712 |
CN-112584898-A | P2X3Receptor antagonists | 20180712 |
KR-20210031925-A | P2X3 receptor antagonists | 20180712 |
Complexity: | 88.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.99933 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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