Chemical Properties of Bentranil (CAS 1022-46-4)

Bentranil

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InChI
InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChI Key
HTTLBYITFHMYFK-UHFFFAOYSA-N
Formula
C14H9NO2
SMILES
O=c1oc(-c2ccccc2)nc2ccccc12
Molecular Weight1
223.23
CAS
1022-46-4
Other Names
  • 2-Phenyl-3,1-benzoxazinone-(4)
  • 2-Phenyl-4-[4H]-3,1-benzoxazinone
  • 2-Phenyl-4H-3,1-benzoxazin-4-one
  • 3-Phenyl-1H-2,4-benzoxazin-1-one
  • 3-Phenyl-2,4-benzoxazin-1-one
  • 4H-3,1-Benzoxazin-4-one, 2-phenyl-
  • H-170
  • Linarotox
  • Linurotox
  • NSC 16082
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Physical Properties

Property Value Unit Source
log10WS -4.61 Aq. Sol...
logPoct/wat 2.855 Crippen Calculated Property
McVol 162.860 ml/mol McGowan Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 463.70 K 1.00 NIST

Similar Compounds

2-Phenyl-3,1-benzoxazin-4-one. 4H-3,1-Benzoxazine-4-one, 2-heptafluoropropyl-. 4H-3,1-Benzoxazine-4-one, 2-pentafluoroethyl-. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Zederone. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. (5R,6S,8S,Z)-8-Methoxy-3,6,10-trimethyl-4-oxo-4,5,6,7,8,11-hexahydrocyclodeca[b]furan-5-yl acetate. Mebhydroline M (nor), acetylated. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1.

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Sources

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