2-Bromo-3-fluoro-6-nitrotoluene - CAS 1427502-92-8
Catalog: |
BB062045 |
Product Name: |
2-Bromo-3-fluoro-6-nitrotoluene |
CAS: |
1427502-92-8 |
Synonyms: |
2-Bromo-3-fluoro-6-nitrotoluene; 2-BROMO-1-FLUORO-3-METHYL-4-NITROBENZENE |
IUPAC Name: | 2-bromo-1-fluoro-3-methyl-4-nitrobenzene |
Description: | 2-Bromo-3-fluoro-6-nitrotoluene |
Molecular Weight: | 234.02 |
Molecular Formula: | C7H5BrFNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1Br)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5BrFNO2/c1-4-6(10(11)12)3-2-5(9)7(4)8/h2-3H,1H3 |
InChI Key: | KGDOPLZZGRUWHO-UHFFFAOYSA-N |
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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