1-Bromo-2,5-dichloro-4-nitrobenzene - CAS 170098-91-6
Catalog: |
BB061560 |
Product Name: |
1-Bromo-2,5-dichloro-4-nitrobenzene |
CAS: |
170098-91-6 |
Synonyms: |
1-bromo-2,5-dichloro-4-nitrobenzene; 4-Bromo-2,5-dichloronitrobenzene; 2,5-Dichloro-4-nitrobromobenzene; 4-Bromo-2, 5-dichloronitrobenzene |
IUPAC Name: | 1-bromo-2,5-dichloro-4-nitrobenzene |
Molecular Weight: | 270.9 |
Molecular Formula: | C6H2BrCl2NO2 |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)Br)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C6H2BrCl2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H |
InChI Key: | MYTUPPCUVLUADY-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.8646 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.8646 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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