5-Bromo-1-chloro-2-fluoro-3-nitrobenzene - CAS 1435806-75-9
Catalog: |
BB072214 |
Product Name: |
5-Bromo-1-chloro-2-fluoro-3-nitrobenzene |
CAS: |
1435806-75-9 |
Synonyms: |
5-Bromo-1-chloro-2-fluoro-3-nitrobenzene; 5-Bromo-3-chloro-2-fluoronitrobenzene; 1-Bromo-3-chloro-4-fluoro-5-nitrobenzene |
IUPAC Name: | 5-bromo-1-chloro-2-fluoro-3-nitrobenzene |
Description: | 5-Bromo-1-chloro-2-fluoro-3-nitrobenzene |
Molecular Weight: | 254.44 |
Molecular Formula: | C6H2BrClFNO2 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])F)Cl)Br |
InChI: | InChI=1S/C6H2BrClFNO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H |
InChI Key: | PNEWAZPHMNCPPO-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: | 3.2 |
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