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622-42-4

622-42-4 structural image
Product Name: (NITROMETHYL)BENZENE
Formula: C7H7NO2
Synonyms: Nitromethylbenzene;Phenylnitromethane
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1152

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 137.14 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 137.047678466 g/mol
Monoisotopic Mass 137.047678466 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 113
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