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912569-60-9

912569-60-9 structural image
Product Name: 3-(1-Methyl-1H-pyrazol-3-yl)phenyl isocyanate
Formula: C11H9N3O
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS08
Health Hazard
GHS08
GHS Hazard Statements H334:Sensitisation, respiratory
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P309+P311:IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 199.21 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 199.074561919 g/mol
Monoisotopic Mass 199.074561919 g/mol
Topological Polar Surface Area 47.2 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 263
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

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