1-Bromo-4-chloro-5-fluoro-2-nitrobenzene - CAS 960000-93-5
Catalog: |
BB072218 |
Product Name: |
1-Bromo-4-chloro-5-fluoro-2-nitrobenzene |
CAS: |
960000-93-5 |
Synonyms: |
1-Bromo-4-chloro-5-fluoro-2-nitrobenzene; 2-Bromo-5-chloro-4-fluoronitrobenzene |
IUPAC Name: | 1-bromo-4-chloro-5-fluoro-2-nitrobenzene |
Molecular Weight: | 254.44 |
Molecular Formula: | C6H2BrClFNO2 |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)F)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C6H2BrClFNO2/c7-3-1-5(9)4(8)2-6(3)10(11)12/h1-2H |
InChI Key: | IBPDXAYILRNZRH-UHFFFAOYSA-N |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.89415 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.89415 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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