3-Bromo-2-methylbenzotrifluoride - CAS 69902-83-6
Catalog: |
BB034011 |
Product Name: |
3-Bromo-2-methylbenzotrifluoride |
CAS: |
69902-83-6 |
Synonyms: |
1-bromo-2-methyl-3-(trifluoromethyl)benzene; 1-bromo-2-methyl-3-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-2-methyl-3-(trifluoromethyl)benzene |
Description: | 3-Bromo-2-methylbenzotrifluoride (CAS# 69902-83-6) is a useful research chemical. |
Molecular Weight: | 239.03 |
Molecular Formula: | C8H6BrF3 |
Canonical SMILES: | CC1=C(C=CC=C1Br)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3 |
InChI Key: | OYFKTZQGAWXNTI-UHFFFAOYSA-N |
Boiling Point: | 35 °C / 1 mmHg |
Density: | 1.538 g/cm3 |
MDL: | MFCD04038231 |
LogP: | 3.77630 |
Publication Number | Title | Priority Date |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
US-2021188857-A1 | Sos1 inhibitors | 20191220 |
WO-2021127429-A1 | Sos1 inhibitors | 20191220 |
WO-2021043322-A1 | Azepino pyrimidine derivatives and medical use thereof | 20190906 |
WO-2021027943-A1 | Pyrimidinopyridazinone derivative and medical use thereof | 20190814 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.9605 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.9605 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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