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873005-25-5

873005-25-5 structural image
Product Name: TERT-BUTYL 2-METHYL-5-NITROBENZOATE
Formula: C12H15NO4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 237.25 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 237.10010796 g/mol
Monoisotopic Mass 237.10010796 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 303
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