1-Bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene - CAS 1360438-11-4
Catalog: |
BB071675 |
Product Name: |
1-Bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene |
CAS: |
1360438-11-4 |
Synonyms: |
1-bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene; 3-Bromo-2-fluoro-5-nitrobenzotrifluoride; 5-nitro-2-fluoro-3-bromo trifluorotoluene |
IUPAC Name: | 1-bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene |
Description: | 1-Bromo-2-fluoro-5-nitro-3-(trifluoromethyl)benzene |
Molecular Weight: | 287.99 |
Molecular Formula: | C7H2BrF4NO2 |
Canonical SMILES: | C1=C(C=C(C(=C1C(F)(F)F)F)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C7H2BrF4NO2/c8-5-2-3(13(14)15)1-4(6(5)9)7(10,11)12/h1-2H |
InChI Key: | SMWBEODPKNIOGO-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.9205 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.9205 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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