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5791-00-4

5791-00-4 structural image
Product Name: 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula: C9H8ClNO2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 197.62 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 197.0243562 g/mol
Monoisotopic Mass 197.0243562 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 222
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