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Homecas79544-31-3

79544-31-3

79544-31-3 structural image
Product Name: 3,4-DINITROBENZYL ALCOHOL
Formula: C7H6N2O5
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 198.13 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 198.02767130 g/mol
Monoisotopic Mass 198.02767130 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 233
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