4-Bromo-1-(4-chlorophenyl)pyrazole - CAS 885017-82-3
Catalog: |
BB061920 |
Product Name: |
4-Bromo-1-(4-chlorophenyl)pyrazole |
CAS: |
885017-82-3 |
Synonyms: |
4-Bromo-1-(4-chlorophenyl)pyrazole; 4-bromo-1-(4-chlorophenyl)-1H-pyrazole; 4-bromo-1-(4-chlorophenyl)-pyrazole |
IUPAC Name: | 4-bromo-1-(4-chlorophenyl)pyrazole |
Description: | 4-Bromo-1-(4-chlorophenyl)pyrazole |
Molecular Weight: | 257.51 |
Molecular Formula: | C9H6BrClN2 |
Canonical SMILES: | C1=CC(=CC=C1N2C=C(C=N2)Br)Cl |
InChI: | InChI=1S/C9H6BrClN2/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H |
InChI Key: | ZTXBFJAPHHIBFG-UHFFFAOYSA-N |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.94029 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.94029 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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