2-Bromo-3,4,5-trifluoronitrobenzene - CAS 1020718-01-7
Catalog: |
BB000769 |
Product Name: |
2-Bromo-3,4,5-trifluoronitrobenzene |
CAS: |
1020718-01-7 |
Synonyms: |
4-bromo-1,2,3-trifluoro-5-nitrobenzene; 4-bromo-1,2,3-trifluoro-5-nitrobenzene |
IUPAC Name: | 4-bromo-1,2,3-trifluoro-5-nitrobenzene |
Description: | 2-Bromo-3,4,5-trifluoronitrobenzene (CAS# 1020718-01-7 ) is a useful research chemical. |
Molecular Weight: | 255.98 |
Molecular Formula: | C6HBrF3NO2 |
Canonical SMILES: | C1=C(C(=C(C(=C1F)F)F)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C6HBrF3NO2/c7-4-3(11(12)13)1-2(8)5(9)6(4)10/h1H |
InChI Key: | RISQAVRTASTTPY-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD09955450 |
LogP: | 3.29780 |
Publication Number | Title | Priority Date |
US-2021292331-A1 | KRAS mutant protein inhibitors | 20191219 |
WO-2021121367-A1 | Kras mutant protein inhibitors | 20191219 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.91428 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.91428 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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