925200-46-0
Product Name:
2-(4-BROMO-3-METHYL-PYRAZOL-1-YL)-PROPIONIC ACID
Formula:
C7H9BrN2O2
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 233.06 g/mol |
---|---|
XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 231.98474 g/mol |
Monoisotopic Mass | 231.98474 g/mol |
Topological Polar Surface Area | 55.1 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 188 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |