5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene - CAS 80245-29-0
Catalog: |
BB036482 |
Product Name: |
5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene |
CAS: |
80245-29-0 |
Synonyms: |
5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene; 5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene |
IUPAC Name: | 5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene |
Description: | 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene (CAS# 80245-29-0) is a useful research chemical. |
Molecular Weight: | 253.06 |
Molecular Formula: | C9H8BrF3 |
Canonical SMILES: | CC1=CC(=CC(=C1C)C(F)(F)F)Br |
InChI: | InChI=1S/C9H8BrF3/c1-5-3-7(10)4-8(6(5)2)9(11,12)13/h3-4H,1-2H3 |
InChI Key: | AINASRYWSBKQSE-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2017075394-A1 | Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of mnk1 and mnk2 | 20151029 |
US-2010010058-A1 | Azoline Compounds for Combating Arthropod Pests | 20060622 |
WO-2007147701-A1 | Azoline compounds for combating arthropod pests | 20060622 |
US-2008312085-A1 | Pesticidal Compositions | 20051222 |
WO-2007071585-A1 | Pestcidal compositions | 20051222 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.97615 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.97615 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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