2,6-Dibromo-4-(trifluoromethyl)toluene - CAS 231953-31-4
Catalog: |
BB017976 |
Product Name: |
2,6-Dibromo-4-(trifluoromethyl)toluene |
CAS: |
231953-31-4 |
Synonyms: |
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene; 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene |
IUPAC Name: | 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene |
Description: | 2,6-Dibromo-4-(trifluoromethyl)toluene (CAS# 231953-31-4 ) is a useful research chemical. |
Molecular Weight: | 317.93 |
Molecular Formula: | C8H5Br2F3 |
Canonical SMILES: | CC1=C(C=C(C=C1Br)C(F)(F)F)Br |
InChI: | InChI=1S/C8H5Br2F3/c1-4-6(9)2-5(3-7(4)10)8(11,12)13/h2-3H,1H3 |
InChI Key: | PYNWLQMFGMGAHM-UHFFFAOYSA-N |
LogP: | 4.53880 |
Publication Number | Title | Priority Date |
EP-3719015-A1 | Substituted pyrimidine compound and preparation method therefor and use thereof | 20171129 |
WO-2018072736-A1 | Pyridazinone compound and application thereof | 20161020 |
EP-3299366-A1 | Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof | 20150518 |
EP-3299366-B1 | Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof as pesticides | 20150518 |
EP-3081565-A1 | Pyrazolyl pyrimidinamine compound and application thereof | 20131213 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.86896 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.87101 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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