4-Bromo-1-(2-methylphenyl)pyrazole - CAS 1337607-03-0
Catalog: |
BB071325 |
Product Name: |
4-Bromo-1-(2-methylphenyl)pyrazole |
CAS: |
1337607-03-0 |
Synonyms: |
4-bromo-1-(2-methylphenyl)pyrazole; 4-bromo-1-(2-methylphenyl)-1H-pyrazole |
IUPAC Name: | 4-bromo-1-(2-methylphenyl)pyrazole |
Description: | 4-Bromo-1-(2-methylphenyl)pyrazole |
Molecular Weight: | 237.09 |
Molecular Formula: | C10H9BrN2 |
Canonical SMILES: | CC1=CC=CC=C1N2C=C(C=N2)Br |
InChI: | InChI=1S/C10H9BrN2/c1-8-4-2-3-5-10(8)13-7-9(11)6-12-13/h2-7H,1H3 |
InChI Key: | HMULFHZEMGDGLG-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.99491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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