1-Bromo-2,4,5-trifluoro-3-methylbenzene - CAS 112822-82-9
Catalog: |
BB003051 |
Product Name: |
1-Bromo-2,4,5-trifluoro-3-methylbenzene |
CAS: |
112822-82-9 |
Synonyms: |
1-bromo-2,4,5-trifluoro-3-methylbenzene; 1-bromo-2,4,5-trifluoro-3-methylbenzene |
IUPAC Name: | 1-bromo-2,4,5-trifluoro-3-methylbenzene |
Description: | 1-Bromo-2,4,5-trifluoro-3-methylbenzene (CAS# 112822-82-9 ) is a useful research chemical. |
Molecular Weight: | 225.01 |
Molecular Formula: | C7H4BrF3 |
Canonical SMILES: | CC1=C(C(=CC(=C1F)Br)F)F |
InChI: | InChI=1S/C7H4BrF3/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3 |
InChI Key: | MARJTTMEOKZEQJ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.17480 |
Publication Number | Title | Priority Date |
US-2009247478-A1 | Novel macrolides and ketolides having antimicrobial activity | 20060824 |
US-8097594-B2 | Macrolides and ketolides having antimicrobial activity | 20060824 |
EP-1611104-A1 | Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists | 20030326 |
US-2006178515-A1 | Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists | 20030326 |
WO-2004085403-A1 | Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists | 20030326 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.94485 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.94485 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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