3-Amino-5-(2-bromophenyl)-2-methylpyrazole - CAS 1152708-91-2
Catalog: |
BB075071 |
Product Name: |
3-Amino-5-(2-bromophenyl)-2-methylpyrazole |
CAS: |
1152708-91-2 |
Synonyms: |
3-Amino-5-(2-bromophenyl)-2-methylpyrazole; 5-(2-bromophenyl)-2-methylpyrazol-3-amine; 3-(2-bromophenyl)-1-methyl-1H-pyrazol-5-amine |
IUPAC Name: | 5-(2-bromophenyl)-2-methylpyrazol-3-amine |
Molecular Weight: | 252.11 |
Molecular Formula: | C10H10BrN3 |
Canonical SMILES: | CN1C(=CC(=N1)C2=CC=CC=C2Br)N |
InChI: | InChI=1S/C10H10BrN3/c1-14-10(12)6-9(13-14)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3 |
InChI Key: | PZKMLTGKPZPDSM-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.00581 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.00581 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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