5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carbohydrazide - CAS 618070-68-1
Catalog: |
BB031267 |
Product Name: |
5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carbohydrazide |
CAS: |
618070-68-1 |
Synonyms: |
5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid hydrazide; 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-bromophenyl)-, hydrazide |
IUPAC Name: | 5-amino-1-(4-bromophenyl)pyrazole-4-carbohydrazide |
Molecular Weight: | 296.12 |
Molecular Formula: | C10H10BrN5O |
Canonical SMILES: | C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NN)N)Br |
InChI: | InChI=1S/C10H10BrN5O/c11-6-1-3-7(4-2-6)16-9(12)8(5-14-16)10(17)15-13/h1-5H,12-13H2,(H,15,17) |
InChI Key: | XKCCKDRUAISHDI-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.84±0.1 g/cm3 |
Storage: | Store at 2-8°C |
MDL: | MFCD03934814 |
LogP: | 2.49290 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.00687 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.00687 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 99 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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