139756-01-7
Product Name:
1-Methyl-4-nitro-3-propyl-(1H)-pyrazole-5-carboxamide
Formula:
C8H12N4O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 31.6 [ug/mL] (The mean of the results at pH 7.4) |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H302:Acute toxicity,oral H373:Specific target organ toxicity, repeated exposure H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P314:Get medical advice/attention if you feel unwell. |
COMPUTED DESCRIPTORS
Molecular Weight | 212.21 g/mol |
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XLogP3 | 0.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 212.09094026 g/mol |
Monoisotopic Mass | 212.09094026 g/mol |
Topological Polar Surface Area | 107 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 265 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |