1-Bromo-2-fluoro-3-methyl-5-nitrobenzene - CAS 175610-68-1
Catalog: |
BB070730 |
Product Name: |
1-Bromo-2-fluoro-3-methyl-5-nitrobenzene |
CAS: |
175610-68-1 |
Synonyms: |
1-Bromo-2-fluoro-3-methyl-5-nitrobenzene; 1-bromo-2-fluoro-3-methyl-5-nitro-benzene; 3-Bromo-2-fluoro-5-nitrotoluene |
IUPAC Name: | 1-bromo-2-fluoro-3-methyl-5-nitrobenzene |
Molecular Weight: | 234.02 |
Molecular Formula: | C7H5NO2FBr |
Canonical SMILES: | CC1=CC(=CC(=C1F)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5BrFNO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H3 |
InChI Key: | XDCQFNXIWGZLMX-UHFFFAOYSA-N |
References: | Biannic, B., et al. U.S. Pat. Appl. Publ., (2019). |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.94877 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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