2-Bromo-6-chlorobenzotrifluoride - CAS 857061-44-0
Catalog: |
BB037692 |
Product Name: |
2-Bromo-6-chlorobenzotrifluoride |
CAS: |
857061-44-0 |
Synonyms: |
1-bromo-3-chloro-2-(trifluoromethyl)benzene; 1-bromo-3-chloro-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-3-chloro-2-(trifluoromethyl)benzene |
Description: | 2-Bromo-6-chlorobenzotrifluoride (CAS# 857061-44-0) is a useful research chemical. |
Molecular Weight: | 259.45 |
Molecular Formula: | C7H3BrClF3 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)C(F)(F)F)Cl |
InChI: | InChI=1S/C7H3BrClF3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H |
InChI Key: | XPIQQGXRDHXMGQ-UHFFFAOYSA-N |
Boiling Point: | 210.8 °C at 760 mmHg |
Density: | 1.717 g/cm3 |
MDL: | MFCD08459291 |
LogP: | 4.12130 |
Publication Number | Title | Priority Date |
CN-113004269-A | Heterocyclic compounds as Kras-G12C inhibitors | 20191219 |
WO-2021043322-A1 | Azepino pyrimidine derivatives and medical use thereof | 20190906 |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
CN-112430234-A | Novel KRAS G12C protein inhibitor and preparation method and application thereof | 20190826 |
WO-2021027943-A1 | Pyrimidinopyridazinone derivative and medical use thereof | 20190814 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.90587 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.90587 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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